id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 19961 Crash in QDockWidget::event() in Qt 6.9.2 chimerax-bug-report@… Tom Goddard "{{{ The following bug report has been submitted: Platform: macOS-26.0.1-arm64-arm-64bit ChimeraX Version: 1.11.1 (2026-01-23 05:51:34 UTC) Description Last time you used ChimeraX it crashed. Please describe steps that led to the crash here. Fatal Python error: Segmentation fault Thread 0x00000001799af000 (most recent call first): File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 331 in wait File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 629 in wait File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1399 in run File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap Current thread 0x00000001f991c800 (most recent call first): File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 414 in event_loop File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1064 in init File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1229 in File """", line 88 in _run_code File """", line 198 in _run_module_as_main Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, 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""sharedCache"" : { ""base"" : 6654935040, ""size"" : 5557583872, ""uuid"" : ""4300eabe-4963-34ab-a648-3d68753cf4e1"" }, ""vmSummary"" : ""ReadOnly portion of Libraries: Total=2.1G resident=0K(0%) swapped_out_or_unallocated=2.1G(100%) Writable regions: Total=1.3G written=2149K(0%) resident=1381K(0%) swapped_out=768K(0%) unallocated=1.3G(100%) VIRTUAL REGION REGION TYPE SIZE COUNT (non-coalesced) =========== ======= ======= Accelerate framework 128K 1 Activity Tracing 256K 1 AttributeGraph Data 1024K 1 CG image 192K 9 ColorSync 704K 33 CoreAnimation 1456K 74 CoreGraphics 112K 6 CoreUI image data 4672K 35 Foundation 16K 1 Kernel Alloc Once 32K 1 MALLOC 709.8M 183 MALLOC guard page 3152K 4 Mach message 64K 2 OpenGL GLSL 256K 3 PROTECTED_MEMORY 16K 1 STACK GUARD 672K 42 Stack 232.9M 43 Stack Guard 56.0M 1 VM_ALLOCATE 209.2M 162 VM_ALLOCATE (reserved) 160.0M 1 reserved VM address space (unallocated) __AUTH 5876K 658 __AUTH_CONST 89.8M 1051 __CTF 824 1 __DATA 37.6M 1138 __DATA_CONST 59.4M 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All rights reserved. How to cite UCSF ChimeraX > open /Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb Summary of feedback from opening /Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK FILE_NAME : seed-1-18-1-2-3.crd Ignored bad PDB record found on line 2 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 3 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 4 REMARK MEMBER_ENERGY : 21.778401 Ignored bad PDB record found on line 5 REMARK MEMBER_SCORE : 21.778401 17 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 89 REMARK FILE_NAME : seed-1-25-1-2-3.crd Ignored bad PDB record found on line 90 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 91 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 92 REMARK MEMBER_ENERGY : 27.260278 Ignored bad PDB record found on line 93 REMARK MEMBER_SCORE : 27.260278 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 133 REMARK FILE_NAME : seed-1-31-0-0-1.crd Ignored bad PDB record found on line 134 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 135 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 136 REMARK MEMBER_ENERGY : 27.431047 Ignored bad PDB record found on line 137 REMARK MEMBER_SCORE : 27.431047 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 177 REMARK FILE_NAME : seed-1-12-1-2-0.crd Ignored bad PDB record found on line 178 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 179 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 180 REMARK MEMBER_ENERGY : 27.594099 Ignored bad PDB record found on line 181 REMARK MEMBER_SCORE : 27.594099 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 221 REMARK FILE_NAME : seed-1-18-0-0-1.crd Ignored bad PDB record found on line 222 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 223 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 224 REMARK MEMBER_ENERGY : 28.131259 Ignored bad PDB record found on line 225 REMARK MEMBER_SCORE : 28.131259 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 265 REMARK FILE_NAME : seed-1-38-0-0-1.crd Ignored bad PDB record found on line 266 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 267 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 268 REMARK MEMBER_ENERGY : 28.414608 Ignored bad PDB record found on line 269 REMARK MEMBER_SCORE : 28.414608 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 309 REMARK FILE_NAME : seed-1-2-0-0-2.crd Ignored bad PDB record found on line 310 REMARK CLUSTER_NUM : 0 Ignored bad PDB record found on line 311 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 312 REMARK MEMBER_ENERGY : 29.304311 Ignored bad PDB record found on line 313 REMARK MEMBER_SCORE : 29.304311 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 353 REMARK FILE_NAME : seed-1-11-0-3-0.crd Ignored bad PDB record found on line 354 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 355 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 356 REMARK MEMBER_ENERGY : 30.684937 Ignored bad PDB record found on line 357 REMARK MEMBER_SCORE : 30.684937 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 397 REMARK FILE_NAME : seed-1-25-0-0-0.crd Ignored bad PDB record found on line 398 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 399 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 400 REMARK MEMBER_ENERGY : 32.621758 Ignored bad PDB record found on line 401 REMARK MEMBER_SCORE : 32.621758 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 441 REMARK FILE_NAME : seed-1-21-0-0-3.crd Ignored bad PDB record found on line 442 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 443 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 444 REMARK MEMBER_ENERGY : 32.971550 Ignored bad PDB record found on line 445 REMARK MEMBER_SCORE : 32.971550 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 485 REMARK FILE_NAME : seed-1-22-0-0-0.crd Ignored bad PDB record found on line 486 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 487 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 488 REMARK MEMBER_ENERGY : 33.047038 Ignored bad PDB record found on line 489 REMARK MEMBER_SCORE : 33.047038 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 529 REMARK FILE_NAME : seed-1-23-0-3-3.crd Ignored bad PDB record found on line 530 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 531 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 532 REMARK MEMBER_ENERGY : 36.606156 Ignored bad PDB record found on line 533 REMARK MEMBER_SCORE : 36.606156 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 573 REMARK FILE_NAME : seed-1-5-1-0-0.crd Ignored bad PDB record found on line 574 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 575 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 576 REMARK MEMBER_ENERGY : 37.492684 Ignored bad PDB record found on line 577 REMARK MEMBER_SCORE : 37.492684 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 617 REMARK FILE_NAME : seed-1-11-1-0-0.crd Ignored bad PDB record found on line 618 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 619 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 620 REMARK MEMBER_ENERGY : 37.543279 Ignored bad PDB record found on line 621 REMARK MEMBER_SCORE : 37.543279 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 661 REMARK FILE_NAME : seed-1-1-0-0-0.crd Ignored bad PDB record found on line 662 REMARK CLUSTER_NUM : 1 Ignored bad PDB record found on line 663 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 664 REMARK MEMBER_ENERGY : 37.596194 Ignored bad PDB record found on line 665 REMARK MEMBER_SCORE : 37.596194 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 705 REMARK FILE_NAME : seed-1-1-1-2-2.crd Ignored bad PDB record found on line 706 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 707 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 708 REMARK MEMBER_ENERGY : 32.701887 Ignored bad PDB record found on line 709 REMARK MEMBER_SCORE : 32.701887 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 749 REMARK FILE_NAME : seed-1-6-0-1-3.crd Ignored bad PDB record found on line 750 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 751 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 752 REMARK MEMBER_ENERGY : 33.843398 Ignored bad PDB record found on line 753 REMARK MEMBER_SCORE : 33.843398 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 793 REMARK FILE_NAME : seed-1-5-0-1-3.crd Ignored bad PDB record found on line 794 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 795 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 796 REMARK MEMBER_ENERGY : 36.363176 Ignored bad PDB record found on line 797 REMARK MEMBER_SCORE : 36.363176 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 837 REMARK FILE_NAME : seed-1-24-0-1-3.crd Ignored bad PDB record found on line 838 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 839 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 840 REMARK MEMBER_ENERGY : 36.418752 Ignored bad PDB record found on line 841 REMARK MEMBER_SCORE : 36.418752 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 881 REMARK FILE_NAME : seed-1-10-1-2-2.crd Ignored bad PDB record found on line 882 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 883 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 884 REMARK MEMBER_ENERGY : 36.779265 Ignored bad PDB record found on line 885 REMARK MEMBER_SCORE : 36.779265 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 925 REMARK FILE_NAME : seed-1-23-0-2-2.crd Ignored bad PDB record found on line 926 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 927 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 928 REMARK MEMBER_ENERGY : 36.989212 Ignored bad PDB record found on line 929 REMARK MEMBER_SCORE : 36.989212 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 969 REMARK FILE_NAME : seed-1-36-0-2-3.crd Ignored bad PDB record found on line 970 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 971 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 972 REMARK MEMBER_ENERGY : 37.034704 Ignored bad PDB record found on line 973 REMARK MEMBER_SCORE : 37.034704 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1013 REMARK FILE_NAME : seed-1-21-0-1-3.crd Ignored bad PDB record found on line 1014 REMARK CLUSTER_NUM : 2 Ignored bad PDB record found on line 1015 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 1016 REMARK MEMBER_ENERGY : 37.080709 Ignored bad PDB record found on line 1017 REMARK MEMBER_SCORE : 37.080709 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1057 REMARK FILE_NAME : seed-1-36-1-0-2.crd Ignored bad PDB record found on line 1058 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1059 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 1060 REMARK MEMBER_ENERGY : 34.073430 Ignored bad PDB record found on line 1061 REMARK MEMBER_SCORE : 34.073430 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1101 REMARK FILE_NAME : seed-1-14-1-0-2.crd Ignored bad PDB record found on line 1102 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1103 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 1104 REMARK MEMBER_ENERGY : 37.297133 Ignored bad PDB record found on line 1105 REMARK MEMBER_SCORE : 37.297133 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1145 REMARK FILE_NAME : seed-1-5-1-0-2.crd Ignored bad PDB record found on line 1146 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1147 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 1148 REMARK MEMBER_ENERGY : 39.460591 Ignored bad PDB record found on line 1149 REMARK MEMBER_SCORE : 39.460591 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1189 REMARK FILE_NAME : seed-1-30-1-0-1.crd Ignored bad PDB record found on line 1190 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1191 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 1192 REMARK MEMBER_ENERGY : 40.031449 Ignored bad PDB record found on line 1193 REMARK MEMBER_SCORE : 40.031449 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1233 REMARK FILE_NAME : seed-1-13-1-0-2.crd Ignored bad PDB record found on line 1234 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1235 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 1236 REMARK MEMBER_ENERGY : 40.673878 Ignored bad PDB record found on line 1237 REMARK MEMBER_SCORE : 40.673878 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1277 REMARK FILE_NAME : seed-1-10-1-0-2.crd Ignored bad PDB record found on line 1278 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1279 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 1280 REMARK MEMBER_ENERGY : 41.265135 Ignored bad PDB record found on line 1281 REMARK MEMBER_SCORE : 41.265135 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1321 REMARK FILE_NAME : seed-1-26-1-0-2.crd Ignored bad PDB record found on line 1322 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1323 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 1324 REMARK MEMBER_ENERGY : 43.811695 Ignored bad PDB record found on line 1325 REMARK MEMBER_SCORE : 43.811695 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1365 REMARK FILE_NAME : seed-1-19-1-0-2.crd Ignored bad PDB record found on line 1366 REMARK CLUSTER_NUM : 3 Ignored bad PDB record found on line 1367 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 1368 REMARK MEMBER_ENERGY : 45.142367 Ignored bad PDB record found on line 1369 REMARK MEMBER_SCORE : 45.142367 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1409 REMARK FILE_NAME : seed-1-20-1-2-2.crd Ignored bad PDB record found on line 1410 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1411 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 1412 REMARK MEMBER_ENERGY : 34.501591 Ignored bad PDB record found on line 1413 REMARK MEMBER_SCORE : 34.501591 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1453 REMARK FILE_NAME : seed-1-11-0-1-3.crd Ignored bad PDB record found on line 1454 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1455 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 1456 REMARK MEMBER_ENERGY : 35.827777 Ignored bad PDB record found on line 1457 REMARK MEMBER_SCORE : 35.827777 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1497 REMARK FILE_NAME : seed-1-18-0-2-3.crd Ignored bad PDB record found on line 1498 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1499 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 1500 REMARK MEMBER_ENERGY : 37.029907 Ignored bad PDB record found on line 1501 REMARK MEMBER_SCORE : 37.029907 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1541 REMARK FILE_NAME : seed-1-25-0-2-3.crd Ignored bad PDB record found on line 1542 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1543 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 1544 REMARK MEMBER_ENERGY : 37.051024 Ignored bad PDB record found on line 1545 REMARK MEMBER_SCORE : 37.051024 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1585 REMARK FILE_NAME : seed-1-32-0-0-2.crd Ignored bad PDB record found on line 1586 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1587 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 1588 REMARK MEMBER_ENERGY : 38.082227 Ignored bad PDB record found on line 1589 REMARK MEMBER_SCORE : 38.082227 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1629 REMARK FILE_NAME : seed-1-7-0-2-3.crd Ignored bad PDB record found on line 1630 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1631 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 1632 REMARK MEMBER_ENERGY : 39.052995 Ignored bad PDB record found on line 1633 REMARK MEMBER_SCORE : 39.052995 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1673 REMARK FILE_NAME : seed-1-10-0-1-3.crd Ignored bad PDB record found on line 1674 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1675 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 1676 REMARK MEMBER_ENERGY : 39.078330 Ignored bad PDB record found on line 1677 REMARK MEMBER_SCORE : 39.078330 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1717 REMARK FILE_NAME : seed-1-1-0-1-3.crd Ignored bad PDB record found on line 1718 REMARK CLUSTER_NUM : 4 Ignored bad PDB record found on line 1719 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 1720 REMARK MEMBER_ENERGY : 39.667021 Ignored bad PDB record found on line 1721 REMARK MEMBER_SCORE : 39.667021 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1761 REMARK FILE_NAME : seed-1-19-0-2-3.crd Ignored bad PDB record found on line 1762 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1763 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 1764 REMARK MEMBER_ENERGY : 35.793383 Ignored bad PDB record found on line 1765 REMARK MEMBER_SCORE : 35.793383 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1805 REMARK FILE_NAME : seed-1-4-0-1-3.crd Ignored bad PDB record found on line 1806 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1807 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 1808 REMARK MEMBER_ENERGY : 40.964160 Ignored bad PDB record found on line 1809 REMARK MEMBER_SCORE : 40.964160 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1849 REMARK FILE_NAME : seed-1-14-0-2-3.crd Ignored bad PDB record found on line 1850 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1851 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 1852 REMARK MEMBER_ENERGY : 46.406156 Ignored bad PDB record found on line 1853 REMARK MEMBER_SCORE : 46.406156 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1893 REMARK FILE_NAME : seed-1-15-0-2-3.crd Ignored bad PDB record found on line 1894 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1895 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 1896 REMARK MEMBER_ENERGY : 47.970192 Ignored bad PDB record found on line 1897 REMARK MEMBER_SCORE : 47.970192 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1937 REMARK FILE_NAME : seed-1-10-0-2-3.crd Ignored bad PDB record found on line 1938 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1939 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 1940 REMARK MEMBER_ENERGY : 48.539860 Ignored bad PDB record found on line 1941 REMARK MEMBER_SCORE : 48.539860 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 1981 REMARK FILE_NAME : seed-1-24-1-2-2.crd Ignored bad PDB record found on line 1982 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 1983 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 1984 REMARK MEMBER_ENERGY : 49.936511 Ignored bad PDB record found on line 1985 REMARK MEMBER_SCORE : 49.936511 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2025 REMARK FILE_NAME : seed-1-16-0-2-3.crd Ignored bad PDB record found on line 2026 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 2027 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 2028 REMARK MEMBER_ENERGY : 50.373229 Ignored bad PDB record found on line 2029 REMARK MEMBER_SCORE : 50.373229 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2069 REMARK FILE_NAME : seed-1-20-0-2-3.crd Ignored bad PDB record found on line 2070 REMARK CLUSTER_NUM : 5 Ignored bad PDB record found on line 2071 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 2072 REMARK MEMBER_ENERGY : 51.951056 Ignored bad PDB record found on line 2073 REMARK MEMBER_SCORE : 51.951056 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2113 REMARK FILE_NAME : seed-1-10-1-2-3.crd Ignored bad PDB record found on line 2114 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2115 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2116 REMARK MEMBER_ENERGY : 36.335367 Ignored bad PDB record found on line 2117 REMARK MEMBER_SCORE : 36.335367 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2157 REMARK FILE_NAME : seed-1-29-0-0-0.crd Ignored bad PDB record found on line 2158 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2159 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2160 REMARK MEMBER_ENERGY : 37.459023 Ignored bad PDB record found on line 2161 REMARK MEMBER_SCORE : 37.459023 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2201 REMARK FILE_NAME : seed-1-9-1-2-2.crd Ignored bad PDB record found on line 2202 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2203 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 2204 REMARK MEMBER_ENERGY : 38.706420 Ignored bad PDB record found on line 2205 REMARK MEMBER_SCORE : 38.706420 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2245 REMARK FILE_NAME : seed-1-32-1-2-3.crd Ignored bad PDB record found on line 2246 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2247 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 2248 REMARK MEMBER_ENERGY : 39.273571 Ignored bad PDB record found on line 2249 REMARK MEMBER_SCORE : 39.273571 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2289 REMARK FILE_NAME : seed-1-29-0-1-0.crd Ignored bad PDB record found on line 2290 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2291 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 2292 REMARK MEMBER_ENERGY : 42.401415 Ignored bad PDB record found on line 2293 REMARK MEMBER_SCORE : 42.401415 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2333 REMARK FILE_NAME : seed-1-18-1-2-0.crd Ignored bad PDB record found on line 2334 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2335 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 2336 REMARK MEMBER_ENERGY : 66.652991 Ignored bad PDB record found on line 2337 REMARK MEMBER_SCORE : 66.652991 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2377 REMARK FILE_NAME : seed-1-38-1-2-0.crd Ignored bad PDB record found on line 2378 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2379 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 2380 REMARK MEMBER_ENERGY : 66.845832 Ignored bad PDB record found on line 2381 REMARK MEMBER_SCORE : 66.845832 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2421 REMARK FILE_NAME : seed-1-29-0-1-1.crd Ignored bad PDB record found on line 2422 REMARK CLUSTER_NUM : 6 Ignored bad PDB record found on line 2423 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 2424 REMARK MEMBER_ENERGY : 72.704261 Ignored bad PDB record found on line 2425 REMARK MEMBER_SCORE : 72.704261 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2465 REMARK FILE_NAME : seed-1-23-1-2-3.crd Ignored bad PDB record found on line 2466 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2467 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2468 REMARK MEMBER_ENERGY : 36.380208 Ignored bad PDB record found on line 2469 REMARK MEMBER_SCORE : 36.380208 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2509 REMARK FILE_NAME : seed-1-26-1-2-3.crd Ignored bad PDB record found on line 2510 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2511 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2512 REMARK MEMBER_ENERGY : 40.153576 Ignored bad PDB record found on line 2513 REMARK MEMBER_SCORE : 40.153576 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2553 REMARK FILE_NAME : seed-1-13-0-3-2.crd Ignored bad PDB record found on line 2554 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2555 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 2556 REMARK MEMBER_ENERGY : 40.158112 Ignored bad PDB record found on line 2557 REMARK MEMBER_SCORE : 40.158112 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2597 REMARK FILE_NAME : seed-1-23-1-2-2.crd Ignored bad PDB record found on line 2598 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2599 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 2600 REMARK MEMBER_ENERGY : 43.289282 Ignored bad PDB record found on line 2601 REMARK MEMBER_SCORE : 43.289282 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2641 REMARK FILE_NAME : seed-1-21-0-0-1.crd Ignored bad PDB record found on line 2642 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2643 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 2644 REMARK MEMBER_ENERGY : 48.986245 Ignored bad PDB record found on line 2645 REMARK MEMBER_SCORE : 48.986245 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2685 REMARK FILE_NAME : seed-1-20-0-0-1.crd Ignored bad PDB record found on line 2686 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2687 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 2688 REMARK MEMBER_ENERGY : 53.095440 Ignored bad PDB record found on line 2689 REMARK MEMBER_SCORE : 53.095440 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2729 REMARK FILE_NAME : seed-1-39-0-0-1.crd Ignored bad PDB record found on line 2730 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2731 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 2732 REMARK MEMBER_ENERGY : 58.114217 Ignored bad PDB record found on line 2733 REMARK MEMBER_SCORE : 58.114217 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2773 REMARK FILE_NAME : seed-1-25-1-2-0.crd Ignored bad PDB record found on line 2774 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2775 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 2776 REMARK MEMBER_ENERGY : 65.947625 Ignored bad PDB record found on line 2777 REMARK MEMBER_SCORE : 65.947625 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2817 REMARK FILE_NAME : seed-1-23-0-3-1.crd Ignored bad PDB record found on line 2818 REMARK CLUSTER_NUM : 8 Ignored bad PDB record found on line 2819 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2820 REMARK MEMBER_ENERGY : 36.862726 Ignored bad PDB record found on line 2821 REMARK MEMBER_SCORE : 36.862726 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2861 REMARK FILE_NAME : seed-1-12-0-2-0.crd Ignored bad PDB record found on line 2862 REMARK CLUSTER_NUM : 8 Ignored bad PDB record found on line 2863 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2864 REMARK MEMBER_ENERGY : 46.511566 Ignored bad PDB record found on line 2865 REMARK MEMBER_SCORE : 46.511566 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2905 REMARK FILE_NAME : seed-1-1-0-1-1.crd Ignored bad PDB record found on line 2906 REMARK CLUSTER_NUM : 8 Ignored bad PDB record found on line 2907 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 2908 REMARK MEMBER_ENERGY : 48.754207 Ignored bad PDB record found on line 2909 REMARK MEMBER_SCORE : 48.754207 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2949 REMARK FILE_NAME : seed-1-40-0-3-2.crd Ignored bad PDB record found on line 2950 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 2951 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2952 REMARK MEMBER_ENERGY : 37.215389 Ignored bad PDB record found on line 2953 REMARK MEMBER_SCORE : 37.215389 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 2993 REMARK FILE_NAME : seed-1-41-0-3-2.crd Ignored bad PDB record found on line 2994 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 2995 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2996 REMARK MEMBER_ENERGY : 40.014806 Ignored bad PDB record found on line 2997 REMARK MEMBER_SCORE : 40.014806 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 3037 REMARK FILE_NAME : seed-1-41-0-3-1.crd Ignored bad PDB record found on line 3038 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 3039 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 3040 REMARK MEMBER_ENERGY : 43.866460 Ignored bad PDB record found on line 3041 REMARK MEMBER_SCORE : 43.866460 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 3081 REMARK FILE_NAME : seed-1-40-0-2-3.crd Ignored bad PDB record found on line 3082 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 3083 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 3084 REMARK MEMBER_ENERGY : 45.801931 Ignored bad PDB record found on line 3085 REMARK MEMBER_SCORE : 45.801931 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 27 messages similar to the above omitted Ignored bad PDB record found on line 3125 REMARK FILE_NAME : seed-1-6-0-3-1.crd Ignored bad PDB record found on line 3126 REMARK CLUSTER_NUM : 10 [deleted to fit within ticket limits] Ignored bad PDB record found on line 2634 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2635 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 2636 REMARK MEMBER_ENERGY : 51.051097 Ignored bad PDB record found on line 2637 REMARK MEMBER_SCORE : 51.051097 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2680 REMARK FILE_NAME : seed-1-9-0-3-0.crd Ignored bad PDB record found on line 2681 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2682 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 2683 REMARK MEMBER_ENERGY : 51.432893 Ignored bad PDB record found on line 2684 REMARK MEMBER_SCORE : 51.432893 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2727 REMARK FILE_NAME : seed-1-3-0-3-3.crd Ignored bad PDB record found on line 2728 REMARK CLUSTER_NUM : 7 Ignored bad PDB record found on line 2729 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 2730 REMARK MEMBER_ENERGY : 51.500892 Ignored bad PDB record found on line 2731 REMARK MEMBER_SCORE : 51.500892 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2774 REMARK FILE_NAME : seed-1-36-1-2-1.crd Ignored bad PDB record found on line 2775 REMARK CLUSTER_NUM : 8 Ignored bad PDB record found on line 2776 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2777 REMARK MEMBER_ENERGY : 46.786619 Ignored bad PDB record found on line 2778 REMARK MEMBER_SCORE : 46.786619 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2821 REMARK FILE_NAME : seed-1-37-1-2-2.crd Ignored bad PDB record found on line 2822 REMARK CLUSTER_NUM : 8 Ignored bad PDB record found on line 2823 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2824 REMARK MEMBER_ENERGY : 47.995457 Ignored bad PDB record found on line 2825 REMARK MEMBER_SCORE : 47.995457 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2868 REMARK FILE_NAME : seed-1-37-0-3-0.crd Ignored bad PDB record found on line 2869 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 2870 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 2871 REMARK MEMBER_ENERGY : 47.667286 Ignored bad PDB record found on line 2872 REMARK MEMBER_SCORE : 47.667286 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2915 REMARK FILE_NAME : seed-1-31-0-3-1.crd Ignored bad PDB record found on line 2916 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 2917 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 2918 REMARK MEMBER_ENERGY : 48.266611 Ignored bad PDB record found on line 2919 REMARK MEMBER_SCORE : 48.266611 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 2962 REMARK FILE_NAME : seed-1-36-0-2-1.crd Ignored bad PDB record found on line 2963 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 2964 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 2965 REMARK MEMBER_ENERGY : 49.464796 Ignored bad PDB record found on line 2966 REMARK MEMBER_SCORE : 49.464796 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3009 REMARK FILE_NAME : seed-1-37-0-2-0.crd Ignored bad PDB record found on line 3010 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 3011 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 3012 REMARK MEMBER_ENERGY : 51.586884 Ignored bad PDB record found on line 3013 REMARK MEMBER_SCORE : 51.586884 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3056 REMARK FILE_NAME : seed-1-31-0-3-0.crd Ignored bad PDB record found on line 3057 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 3058 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 3059 REMARK MEMBER_ENERGY : 54.179783 Ignored bad PDB record found on line 3060 REMARK MEMBER_SCORE : 54.179783 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3103 REMARK FILE_NAME : seed-1-37-0-3-1.crd Ignored bad PDB record found on line 3104 REMARK CLUSTER_NUM : 9 Ignored bad PDB record found on line 3105 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 3106 REMARK MEMBER_ENERGY : 54.428531 Ignored bad PDB record found on line 3107 REMARK MEMBER_SCORE : 54.428531 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3150 REMARK FILE_NAME : seed-1-38-0-2-1.crd Ignored bad PDB record found on line 3151 REMARK CLUSTER_NUM : 10 Ignored bad PDB record found on line 3152 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 3153 REMARK MEMBER_ENERGY : 47.667289 Ignored bad PDB record found on line 3154 REMARK MEMBER_SCORE : 47.667289 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3197 REMARK FILE_NAME : seed-1-40-1-2-2.crd Ignored bad PDB record found on line 3198 REMARK CLUSTER_NUM : 10 Ignored bad PDB record found on line 3199 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 3200 REMARK MEMBER_ENERGY : 49.221023 Ignored bad PDB record found on line 3201 REMARK MEMBER_SCORE : 49.221023 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3244 REMARK FILE_NAME : seed-1-39-0-2-1.crd Ignored bad PDB record found on line 3245 REMARK CLUSTER_NUM : 10 Ignored bad PDB record found on line 3246 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 3247 REMARK MEMBER_ENERGY : 49.290770 Ignored bad PDB record found on line 3248 REMARK MEMBER_SCORE : 49.290770 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3291 REMARK FILE_NAME : seed-1-42-0-2-1.crd Ignored bad PDB record found on line 3292 REMARK CLUSTER_NUM : 10 Ignored bad PDB record found on line 3293 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 3294 REMARK MEMBER_ENERGY : 49.318951 Ignored bad PDB record found on line 3295 REMARK MEMBER_SCORE : 49.318951 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3338 REMARK FILE_NAME : seed-1-31-1-2-3.crd Ignored bad PDB record found on line 3339 REMARK CLUSTER_NUM : 11 Ignored bad PDB record found on line 3340 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 3341 REMARK MEMBER_ENERGY : 47.892950 Ignored bad PDB record found on line 3342 REMARK MEMBER_SCORE : 47.892950 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3385 REMARK FILE_NAME : seed-1-37-0-1-0.crd Ignored bad PDB record found on line 3386 REMARK CLUSTER_NUM : 11 Ignored bad PDB record found on line 3387 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 3388 REMARK MEMBER_ENERGY : 49.338103 Ignored bad PDB record found on line 3389 REMARK MEMBER_SCORE : 49.338103 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3432 REMARK FILE_NAME : seed-1-37-0-2-3.crd Ignored bad PDB record found on line 3433 REMARK CLUSTER_NUM : 11 Ignored bad PDB record found on line 3434 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 3435 REMARK MEMBER_ENERGY : 51.151680 Ignored bad PDB record found on line 3436 REMARK MEMBER_SCORE : 51.151680 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3479 REMARK FILE_NAME : seed-1-36-1-2-0.crd Ignored bad PDB record found on line 3480 REMARK CLUSTER_NUM : 11 Ignored bad PDB record found on line 3481 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 3482 REMARK MEMBER_ENERGY : 52.676299 Ignored bad PDB record found on line 3483 REMARK MEMBER_SCORE : 52.676299 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3526 REMARK FILE_NAME : seed-1-37-1-2-3.crd Ignored bad PDB record found on line 3527 REMARK CLUSTER_NUM : 11 Ignored bad PDB record found on line 3528 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 3529 REMARK MEMBER_ENERGY : 52.742793 Ignored bad PDB record found on line 3530 REMARK MEMBER_SCORE : 52.742793 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3573 REMARK FILE_NAME : seed-1-36-1-2-2.crd Ignored bad PDB record found on line 3574 REMARK CLUSTER_NUM : 12 Ignored bad PDB record found on line 3575 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 3576 REMARK MEMBER_ENERGY : 47.914593 Ignored bad PDB record found on line 3577 REMARK MEMBER_SCORE : 47.914593 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3620 REMARK FILE_NAME : seed-1-28-0-2-3.crd Ignored bad PDB record found on line 3621 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3622 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 3623 REMARK MEMBER_ENERGY : 47.960934 Ignored bad PDB record found on line 3624 REMARK MEMBER_SCORE : 47.960934 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3667 REMARK FILE_NAME : seed-1-8-0-2-3.crd Ignored bad PDB record found on line 3668 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3669 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 3670 REMARK MEMBER_ENERGY : 47.994305 Ignored bad PDB record found on line 3671 REMARK MEMBER_SCORE : 47.994305 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3714 REMARK FILE_NAME : seed-1-16-1-2-3.crd Ignored bad PDB record found on line 3715 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3716 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 3717 REMARK MEMBER_ENERGY : 48.076724 Ignored bad PDB record found on line 3718 REMARK MEMBER_SCORE : 48.076724 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3761 REMARK FILE_NAME : seed-1-35-0-1-0.crd Ignored bad PDB record found on line 3762 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3763 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 3764 REMARK MEMBER_ENERGY : 49.583840 Ignored bad PDB record found on line 3765 REMARK MEMBER_SCORE : 49.583840 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3808 REMARK FILE_NAME : seed-1-18-0-1-0.crd Ignored bad PDB record found on line 3809 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3810 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 3811 REMARK MEMBER_ENERGY : 50.474537 Ignored bad PDB record found on line 3812 REMARK MEMBER_SCORE : 50.474537 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3855 REMARK FILE_NAME : seed-1-29-0-2-0.crd Ignored bad PDB record found on line 3856 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3857 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 3858 REMARK MEMBER_ENERGY : 54.521850 Ignored bad PDB record found on line 3859 REMARK MEMBER_SCORE : 54.521850 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3902 REMARK FILE_NAME : seed-1-15-0-1-3.crd Ignored bad PDB record found on line 3903 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3904 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 3905 REMARK MEMBER_ENERGY : 55.232796 Ignored bad PDB record found on line 3906 REMARK MEMBER_SCORE : 55.232796 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3949 REMARK FILE_NAME : seed-1-4-0-1-0.crd Ignored bad PDB record found on line 3950 REMARK CLUSTER_NUM : 13 Ignored bad PDB record found on line 3951 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 3952 REMARK MEMBER_ENERGY : 55.453733 Ignored bad PDB record found on line 3953 REMARK MEMBER_SCORE : 55.453733 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 3996 REMARK FILE_NAME : seed-1-30-0-2-0.crd Ignored bad PDB record found on line 3997 REMARK CLUSTER_NUM : 14 Ignored bad PDB record found on line 3998 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 3999 REMARK MEMBER_ENERGY : 48.115958 Ignored bad PDB record found on line 4000 REMARK MEMBER_SCORE : 48.115958 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4043 REMARK FILE_NAME : seed-1-36-0-2-0.crd Ignored bad PDB record found on line 4044 REMARK CLUSTER_NUM : 14 Ignored bad PDB record found on line 4045 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 4046 REMARK MEMBER_ENERGY : 48.306129 Ignored bad PDB record found on line 4047 REMARK MEMBER_SCORE : 48.306129 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4090 REMARK FILE_NAME : seed-1-36-0-0-3.crd Ignored bad PDB record found on line 4091 REMARK CLUSTER_NUM : 14 Ignored bad PDB record found on line 4092 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 4093 REMARK MEMBER_ENERGY : 49.138621 Ignored bad PDB record found on line 4094 REMARK MEMBER_SCORE : 49.138621 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4137 REMARK FILE_NAME : seed-1-31-1-0-2.crd Ignored bad PDB record found on line 4138 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4139 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 4140 REMARK MEMBER_ENERGY : 48.261785 Ignored bad PDB record found on line 4141 REMARK MEMBER_SCORE : 48.261785 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4184 REMARK FILE_NAME : seed-1-37-1-0-2.crd Ignored bad PDB record found on line 4185 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4186 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 4187 REMARK MEMBER_ENERGY : 48.991701 Ignored bad PDB record found on line 4188 REMARK MEMBER_SCORE : 48.991701 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4231 REMARK FILE_NAME : seed-1-30-0-3-1.crd Ignored bad PDB record found on line 4232 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4233 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 4234 REMARK MEMBER_ENERGY : 49.227773 Ignored bad PDB record found on line 4235 REMARK MEMBER_SCORE : 49.227773 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4278 REMARK FILE_NAME : seed-1-36-0-3-1.crd Ignored bad PDB record found on line 4279 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4280 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 4281 REMARK MEMBER_ENERGY : 49.268402 Ignored bad PDB record found on line 4282 REMARK MEMBER_SCORE : 49.268402 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4325 REMARK FILE_NAME : seed-1-31-1-0-1.crd Ignored bad PDB record found on line 4326 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4327 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 4328 REMARK MEMBER_ENERGY : 50.356473 Ignored bad PDB record found on line 4329 REMARK MEMBER_SCORE : 50.356473 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4372 REMARK FILE_NAME : seed-1-36-0-3-0.crd Ignored bad PDB record found on line 4373 REMARK CLUSTER_NUM : 15 Ignored bad PDB record found on line 4374 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 4375 REMARK MEMBER_ENERGY : 57.416228 Ignored bad PDB record found on line 4376 REMARK MEMBER_SCORE : 57.416228 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4419 REMARK FILE_NAME : seed-1-9-0-2-3.crd Ignored bad PDB record found on line 4420 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4421 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 4422 REMARK MEMBER_ENERGY : 48.324570 Ignored bad PDB record found on line 4423 REMARK MEMBER_SCORE : 48.324570 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4466 REMARK FILE_NAME : seed-1-6-1-2-0.crd Ignored bad PDB record found on line 4467 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4468 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 4469 REMARK MEMBER_ENERGY : 49.707586 Ignored bad PDB record found on line 4470 REMARK MEMBER_SCORE : 49.707586 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4513 REMARK FILE_NAME : seed-1-5-0-2-2.crd Ignored bad PDB record found on line 4514 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4515 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 4516 REMARK MEMBER_ENERGY : 50.156501 Ignored bad PDB record found on line 4517 REMARK MEMBER_SCORE : 50.156501 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4560 REMARK FILE_NAME : seed-1-28-1-2-2.crd Ignored bad PDB record found on line 4561 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4562 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 4563 REMARK MEMBER_ENERGY : 51.027450 Ignored bad PDB record found on line 4564 REMARK MEMBER_SCORE : 51.027450 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4607 REMARK FILE_NAME : seed-1-26-0-2-3.crd Ignored bad PDB record found on line 4608 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4609 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 4610 REMARK MEMBER_ENERGY : 51.325716 Ignored bad PDB record found on line 4611 REMARK MEMBER_SCORE : 51.325716 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4654 REMARK FILE_NAME : seed-1-11-0-1-3.crd Ignored bad PDB record found on line 4655 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4656 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 4657 REMARK MEMBER_ENERGY : 53.902850 Ignored bad PDB record found on line 4658 REMARK MEMBER_SCORE : 53.902850 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4701 REMARK FILE_NAME : seed-1-21-0-1-3.crd Ignored bad PDB record found on line 4702 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4703 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 4704 REMARK MEMBER_ENERGY : 53.909366 Ignored bad PDB record found on line 4705 REMARK MEMBER_SCORE : 53.909366 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4748 REMARK FILE_NAME : seed-1-9-0-2-2.crd Ignored bad PDB record found on line 4749 REMARK CLUSTER_NUM : 16 Ignored bad PDB record found on line 4750 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 4751 REMARK MEMBER_ENERGY : 58.498415 Ignored bad PDB record found on line 4752 REMARK MEMBER_SCORE : 58.498415 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4795 REMARK FILE_NAME : seed-1-43-1-2-0.crd Ignored bad PDB record found on line 4796 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 4797 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 4798 REMARK MEMBER_ENERGY : 48.542000 Ignored bad PDB record found on line 4799 REMARK MEMBER_SCORE : 48.542000 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4842 REMARK FILE_NAME : seed-1-43-0-0-2.crd Ignored bad PDB record found on line 4843 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 4844 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 4845 REMARK MEMBER_ENERGY : 49.135011 Ignored bad PDB record found on line 4846 REMARK MEMBER_SCORE : 49.135011 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4889 REMARK FILE_NAME : seed-1-45-0-3-2.crd Ignored bad PDB record found on line 4890 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 4891 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 4892 REMARK MEMBER_ENERGY : 49.196409 Ignored bad PDB record found on line 4893 REMARK MEMBER_SCORE : 49.196409 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4936 REMARK FILE_NAME : seed-1-45-0-0-2.crd Ignored bad PDB record found on line 4937 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 4938 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 4939 REMARK MEMBER_ENERGY : 49.287075 Ignored bad PDB record found on line 4940 REMARK MEMBER_SCORE : 49.287075 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 4983 REMARK FILE_NAME : seed-1-44-0-0-2.crd Ignored bad PDB record found on line 4984 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 4985 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 4986 REMARK MEMBER_ENERGY : 49.425132 Ignored bad PDB record found on line 4987 REMARK MEMBER_SCORE : 49.425132 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5030 REMARK FILE_NAME : seed-1-44-0-3-2.crd Ignored bad PDB record found on line 5031 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 5032 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 5033 REMARK MEMBER_ENERGY : 49.575158 Ignored bad PDB record found on line 5034 REMARK MEMBER_SCORE : 49.575158 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5077 REMARK FILE_NAME : seed-1-45-1-2-0.crd Ignored bad PDB record found on line 5078 REMARK CLUSTER_NUM : 17 Ignored bad PDB record found on line 5079 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 5080 REMARK MEMBER_ENERGY : 50.050273 Ignored bad PDB record found on line 5081 REMARK MEMBER_SCORE : 50.050273 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5124 REMARK FILE_NAME : seed-1-41-0-3-3.crd Ignored bad PDB record found on line 5125 REMARK CLUSTER_NUM : 18 Ignored bad PDB record found on line 5126 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5127 REMARK MEMBER_ENERGY : 48.546739 Ignored bad PDB record found on line 5128 REMARK MEMBER_SCORE : 48.546739 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5171 REMARK FILE_NAME : seed-1-41-0-3-2.crd Ignored bad PDB record found on line 5172 REMARK CLUSTER_NUM : 18 Ignored bad PDB record found on line 5173 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 5174 REMARK MEMBER_ENERGY : 48.979170 Ignored bad PDB record found on line 5175 REMARK MEMBER_SCORE : 48.979170 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5218 REMARK FILE_NAME : seed-1-11-0-1-2.crd Ignored bad PDB record found on line 5219 REMARK CLUSTER_NUM : 19 Ignored bad PDB record found on line 5220 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5221 REMARK MEMBER_ENERGY : 48.601186 Ignored bad PDB record found on line 5222 REMARK MEMBER_SCORE : 48.601186 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5265 REMARK FILE_NAME : seed-1-6-0-1-1.crd Ignored bad PDB record found on line 5266 REMARK CLUSTER_NUM : 19 Ignored bad PDB record found on line 5267 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 5268 REMARK MEMBER_ENERGY : 61.742163 Ignored bad PDB record found on line 5269 REMARK MEMBER_SCORE : 61.742163 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5312 REMARK FILE_NAME : seed-1-24-1-2-0.crd Ignored bad PDB record found on line 5313 REMARK CLUSTER_NUM : 19 Ignored bad PDB record found on line 5314 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 5315 REMARK MEMBER_ENERGY : 67.341773 Ignored bad PDB record found on line 5316 REMARK MEMBER_SCORE : 67.341773 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5359 REMARK FILE_NAME : seed-1-31-0-1-3.crd Ignored bad PDB record found on line 5360 REMARK CLUSTER_NUM : 20 Ignored bad PDB record found on line 5361 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5362 REMARK MEMBER_ENERGY : 48.609774 Ignored bad PDB record found on line 5363 REMARK MEMBER_SCORE : 48.609774 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5406 REMARK FILE_NAME : seed-1-36-0-1-3.crd Ignored bad PDB record found on line 5407 REMARK CLUSTER_NUM : 20 Ignored bad PDB record found on line 5408 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 5409 REMARK MEMBER_ENERGY : 48.655952 Ignored bad PDB record found on line 5410 REMARK MEMBER_SCORE : 48.655952 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5453 REMARK FILE_NAME : seed-1-37-0-1-3.crd Ignored bad PDB record found on line 5454 REMARK CLUSTER_NUM : 20 Ignored bad PDB record found on line 5455 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 5456 REMARK MEMBER_ENERGY : 49.759281 Ignored bad PDB record found on line 5457 REMARK MEMBER_SCORE : 49.759281 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5500 REMARK FILE_NAME : seed-1-37-1-0-3.crd Ignored bad PDB record found on line 5501 REMARK CLUSTER_NUM : 21 Ignored bad PDB record found on line 5502 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5503 REMARK MEMBER_ENERGY : 49.189879 Ignored bad PDB record found on line 5504 REMARK MEMBER_SCORE : 49.189879 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5547 REMARK FILE_NAME : seed-1-30-1-0-3.crd Ignored bad PDB record found on line 5548 REMARK CLUSTER_NUM : 21 Ignored bad PDB record found on line 5549 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 5550 REMARK MEMBER_ENERGY : 49.376894 Ignored bad PDB record found on line 5551 REMARK MEMBER_SCORE : 49.376894 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5594 REMARK FILE_NAME : seed-1-36-0-0-0.crd Ignored bad PDB record found on line 5595 REMARK CLUSTER_NUM : 21 Ignored bad PDB record found on line 5596 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 5597 REMARK MEMBER_ENERGY : 50.843295 Ignored bad PDB record found on line 5598 REMARK MEMBER_SCORE : 50.843295 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5641 REMARK FILE_NAME : seed-1-31-0-0-3.crd Ignored bad PDB record found on line 5642 REMARK CLUSTER_NUM : 21 Ignored bad PDB record found on line 5643 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 5644 REMARK MEMBER_ENERGY : 52.033469 Ignored bad PDB record found on line 5645 REMARK MEMBER_SCORE : 52.033469 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5688 REMARK FILE_NAME : seed-1-37-1-0-0.crd Ignored bad PDB record found on line 5689 REMARK CLUSTER_NUM : 21 Ignored bad PDB record found on line 5690 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 5691 REMARK MEMBER_ENERGY : 58.878064 Ignored bad PDB record found on line 5692 REMARK MEMBER_SCORE : 58.878064 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5735 REMARK FILE_NAME : seed-1-36-0-1-2.crd Ignored bad PDB record found on line 5736 REMARK CLUSTER_NUM : 22 Ignored bad PDB record found on line 5737 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5738 REMARK MEMBER_ENERGY : 49.198334 Ignored bad PDB record found on line 5739 REMARK MEMBER_SCORE : 49.198334 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5782 REMARK FILE_NAME : seed-1-31-0-2-2.crd Ignored bad PDB record found on line 5783 REMARK CLUSTER_NUM : 22 Ignored bad PDB record found on line 5784 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 5785 REMARK MEMBER_ENERGY : 50.561709 Ignored bad PDB record found on line 5786 REMARK MEMBER_SCORE : 50.561709 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5829 REMARK FILE_NAME : seed-1-31-0-1-2.crd Ignored bad PDB record found on line 5830 REMARK CLUSTER_NUM : 22 Ignored bad PDB record found on line 5831 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 5832 REMARK MEMBER_ENERGY : 51.569712 Ignored bad PDB record found on line 5833 REMARK MEMBER_SCORE : 51.569712 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5876 REMARK FILE_NAME : seed-1-30-0-1-3.crd Ignored bad PDB record found on line 5877 REMARK CLUSTER_NUM : 22 Ignored bad PDB record found on line 5878 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 5879 REMARK MEMBER_ENERGY : 52.296595 Ignored bad PDB record found on line 5880 REMARK MEMBER_SCORE : 52.296595 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5923 REMARK FILE_NAME : seed-1-41-1-2-1.crd Ignored bad PDB record found on line 5924 REMARK CLUSTER_NUM : 23 Ignored bad PDB record found on line 5925 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5926 REMARK MEMBER_ENERGY : 49.204044 Ignored bad PDB record found on line 5927 REMARK MEMBER_SCORE : 49.204044 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 5970 REMARK FILE_NAME : seed-1-35-0-3-3.crd Ignored bad PDB record found on line 5971 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 5972 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 5973 REMARK MEMBER_ENERGY : 49.320024 Ignored bad PDB record found on line 5974 REMARK MEMBER_SCORE : 49.320024 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6017 REMARK FILE_NAME : seed-1-14-0-3-3.crd Ignored bad PDB record found on line 6018 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6019 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 6020 REMARK MEMBER_ENERGY : 50.116022 Ignored bad PDB record found on line 6021 REMARK MEMBER_SCORE : 50.116022 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6064 REMARK FILE_NAME : seed-1-19-0-0-0.crd Ignored bad PDB record found on line 6065 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6066 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 6067 REMARK MEMBER_ENERGY : 50.151050 Ignored bad PDB record found on line 6068 REMARK MEMBER_SCORE : 50.151050 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6111 REMARK FILE_NAME : seed-1-28-0-3-3.crd Ignored bad PDB record found on line 6112 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6113 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 6114 REMARK MEMBER_ENERGY : 50.604450 Ignored bad PDB record found on line 6115 REMARK MEMBER_SCORE : 50.604450 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6158 REMARK FILE_NAME : seed-1-2-1-0-0.crd Ignored bad PDB record found on line 6159 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6160 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 6161 REMARK MEMBER_ENERGY : 50.666272 Ignored bad PDB record found on line 6162 REMARK MEMBER_SCORE : 50.666272 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6205 REMARK FILE_NAME : seed-1-2-0-3-3.crd Ignored bad PDB record found on line 6206 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6207 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 6208 REMARK MEMBER_ENERGY : 57.180739 Ignored bad PDB record found on line 6209 REMARK MEMBER_SCORE : 57.180739 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6252 REMARK FILE_NAME : seed-1-13-1-0-0.crd Ignored bad PDB record found on line 6253 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6254 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 6255 REMARK MEMBER_ENERGY : 58.617185 Ignored bad PDB record found on line 6256 REMARK MEMBER_SCORE : 58.617185 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6299 REMARK FILE_NAME : seed-1-24-0-3-3.crd Ignored bad PDB record found on line 6300 REMARK CLUSTER_NUM : 24 Ignored bad PDB record found on line 6301 REMARK CLUSTER_MEMBER : 8 Ignored bad PDB record found on line 6302 REMARK MEMBER_ENERGY : 59.929725 Ignored bad PDB record found on line 6303 REMARK MEMBER_SCORE : 59.929725 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6346 REMARK FILE_NAME : seed-1-37-0-3-2.crd Ignored bad PDB record found on line 6347 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6348 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 6349 REMARK MEMBER_ENERGY : 49.320182 Ignored bad PDB record found on line 6350 REMARK MEMBER_SCORE : 49.320182 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6393 REMARK FILE_NAME : seed-1-30-1-2-0.crd Ignored bad PDB record found on line 6394 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6395 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 6396 REMARK MEMBER_ENERGY : 51.180965 Ignored bad PDB record found on line 6397 REMARK MEMBER_SCORE : 51.180965 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6440 REMARK FILE_NAME : seed-1-36-0-2-3.crd Ignored bad PDB record found on line 6441 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6442 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 6443 REMARK MEMBER_ENERGY : 51.366220 Ignored bad PDB record found on line 6444 REMARK MEMBER_SCORE : 51.366220 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6487 REMARK FILE_NAME : seed-1-31-0-2-3.crd Ignored bad PDB record found on line 6488 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6489 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 6490 REMARK MEMBER_ENERGY : 51.515761 Ignored bad PDB record found on line 6491 REMARK MEMBER_SCORE : 51.515761 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6534 REMARK FILE_NAME : seed-1-31-0-3-2.crd Ignored bad PDB record found on line 6535 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6536 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 6537 REMARK MEMBER_ENERGY : 51.655263 Ignored bad PDB record found on line 6538 REMARK MEMBER_SCORE : 51.655263 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6581 REMARK FILE_NAME : seed-1-30-0-2-3.crd Ignored bad PDB record found on line 6582 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6583 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 6584 REMARK MEMBER_ENERGY : 51.664013 Ignored bad PDB record found on line 6585 REMARK MEMBER_SCORE : 51.664013 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6628 REMARK FILE_NAME : seed-1-30-0-3-2.crd Ignored bad PDB record found on line 6629 REMARK CLUSTER_NUM : 25 Ignored bad PDB record found on line 6630 REMARK CLUSTER_MEMBER : 7 Ignored bad PDB record found on line 6631 REMARK MEMBER_ENERGY : 52.203791 Ignored bad PDB record found on line 6632 REMARK MEMBER_SCORE : 52.203791 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6675 REMARK FILE_NAME : seed-1-30-0-2-2.crd Ignored bad PDB record found on line 6676 REMARK CLUSTER_NUM : 26 Ignored bad PDB record found on line 6677 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 6678 REMARK MEMBER_ENERGY : 49.455546 Ignored bad PDB record found on line 6679 REMARK MEMBER_SCORE : 49.455546 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6722 REMARK FILE_NAME : seed-1-37-0-2-2.crd Ignored bad PDB record found on line 6723 REMARK CLUSTER_NUM : 26 Ignored bad PDB record found on line 6724 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 6725 REMARK MEMBER_ENERGY : 49.491304 Ignored bad PDB record found on line 6726 REMARK MEMBER_SCORE : 49.491304 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6769 REMARK FILE_NAME : seed-1-30-1-2-1.crd Ignored bad PDB record found on line 6770 REMARK CLUSTER_NUM : 27 Ignored bad PDB record found on line 6771 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 6772 REMARK MEMBER_ENERGY : 49.542306 Ignored bad PDB record found on line 6773 REMARK MEMBER_SCORE : 49.542306 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6816 REMARK FILE_NAME : seed-1-31-1-2-1.crd Ignored bad PDB record found on line 6817 REMARK CLUSTER_NUM : 27 Ignored bad PDB record found on line 6818 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 6819 REMARK MEMBER_ENERGY : 51.186942 Ignored bad PDB record found on line 6820 REMARK MEMBER_SCORE : 51.186942 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6863 REMARK FILE_NAME : seed-1-30-0-0-3.crd Ignored bad PDB record found on line 6864 REMARK CLUSTER_NUM : 27 Ignored bad PDB record found on line 6865 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 6866 REMARK MEMBER_ENERGY : 54.517102 Ignored bad PDB record found on line 6867 REMARK MEMBER_SCORE : 54.517102 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6910 REMARK FILE_NAME : seed-1-36-0-1-0.crd Ignored bad PDB record found on line 6911 REMARK CLUSTER_NUM : 28 Ignored bad PDB record found on line 6912 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 6913 REMARK MEMBER_ENERGY : 49.586505 Ignored bad PDB record found on line 6914 REMARK MEMBER_SCORE : 49.586505 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 6957 REMARK FILE_NAME : seed-1-31-0-0-0.crd Ignored bad PDB record found on line 6958 REMARK CLUSTER_NUM : 28 Ignored bad PDB record found on line 6959 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 6960 REMARK MEMBER_ENERGY : 50.276781 Ignored bad PDB record found on line 6961 REMARK MEMBER_SCORE : 50.276781 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7004 REMARK FILE_NAME : seed-1-30-0-1-0.crd Ignored bad PDB record found on line 7005 REMARK CLUSTER_NUM : 28 Ignored bad PDB record found on line 7006 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 7007 REMARK MEMBER_ENERGY : 50.893653 Ignored bad PDB record found on line 7008 REMARK MEMBER_SCORE : 50.893653 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7051 REMARK FILE_NAME : seed-1-37-0-0-0.crd Ignored bad PDB record found on line 7052 REMARK CLUSTER_NUM : 28 Ignored bad PDB record found on line 7053 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 7054 REMARK MEMBER_ENERGY : 59.363246 Ignored bad PDB record found on line 7055 REMARK MEMBER_SCORE : 59.363246 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7098 REMARK FILE_NAME : seed-1-6-0-2-1.crd Ignored bad PDB record found on line 7099 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7100 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7101 REMARK MEMBER_ENERGY : 49.591017 Ignored bad PDB record found on line 7102 REMARK MEMBER_SCORE : 49.591017 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7145 REMARK FILE_NAME : seed-1-10-0-2-0.crd Ignored bad PDB record found on line 7146 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7147 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7148 REMARK MEMBER_ENERGY : 50.518864 Ignored bad PDB record found on line 7149 REMARK MEMBER_SCORE : 50.518864 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7192 REMARK FILE_NAME : seed-1-3-0-2-0.crd Ignored bad PDB record found on line 7193 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7194 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 7195 REMARK MEMBER_ENERGY : 55.671722 Ignored bad PDB record found on line 7196 REMARK MEMBER_SCORE : 55.671722 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7239 REMARK FILE_NAME : seed-1-22-0-3-1.crd Ignored bad PDB record found on line 7240 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7241 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 7242 REMARK MEMBER_ENERGY : 60.795491 Ignored bad PDB record found on line 7243 REMARK MEMBER_SCORE : 60.795491 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7286 REMARK FILE_NAME : seed-1-22-0-2-0.crd Ignored bad PDB record found on line 7287 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7288 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 7289 REMARK MEMBER_ENERGY : 60.984904 Ignored bad PDB record found on line 7290 REMARK MEMBER_SCORE : 60.984904 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7333 REMARK FILE_NAME : seed-1-22-1-0-2.crd Ignored bad PDB record found on line 7334 REMARK CLUSTER_NUM : 29 Ignored bad PDB record found on line 7335 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 7336 REMARK MEMBER_ENERGY : 66.470227 Ignored bad PDB record found on line 7337 REMARK MEMBER_SCORE : 66.470227 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7380 REMARK FILE_NAME : seed-1-41-0-2-1.crd Ignored bad PDB record found on line 7381 REMARK CLUSTER_NUM : 30 Ignored bad PDB record found on line 7382 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7383 REMARK MEMBER_ENERGY : 49.598422 Ignored bad PDB record found on line 7384 REMARK MEMBER_SCORE : 49.598422 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7427 REMARK FILE_NAME : seed-1-45-0-0-3.crd Ignored bad PDB record found on line 7428 REMARK CLUSTER_NUM : 31 Ignored bad PDB record found on line 7429 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7430 REMARK MEMBER_ENERGY : 49.721427 Ignored bad PDB record found on line 7431 REMARK MEMBER_SCORE : 49.721427 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7474 REMARK FILE_NAME : seed-1-44-1-0-3.crd Ignored bad PDB record found on line 7475 REMARK CLUSTER_NUM : 31 Ignored bad PDB record found on line 7476 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7477 REMARK MEMBER_ENERGY : 50.452390 Ignored bad PDB record found on line 7478 REMARK MEMBER_SCORE : 50.452390 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7521 REMARK FILE_NAME : seed-1-43-0-0-3.crd Ignored bad PDB record found on line 7522 REMARK CLUSTER_NUM : 31 Ignored bad PDB record found on line 7523 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 7524 REMARK MEMBER_ENERGY : 54.831379 Ignored bad PDB record found on line 7525 REMARK MEMBER_SCORE : 54.831379 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7568 REMARK FILE_NAME : seed-1-31-0-1-0.crd Ignored bad PDB record found on line 7569 REMARK CLUSTER_NUM : 32 Ignored bad PDB record found on line 7570 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7571 REMARK MEMBER_ENERGY : 49.750957 Ignored bad PDB record found on line 7572 REMARK MEMBER_SCORE : 49.750957 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7615 REMARK FILE_NAME : seed-1-31-0-1-1.crd Ignored bad PDB record found on line 7616 REMARK CLUSTER_NUM : 32 Ignored bad PDB record found on line 7617 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7618 REMARK MEMBER_ENERGY : 53.489290 Ignored bad PDB record found on line 7619 REMARK MEMBER_SCORE : 53.489290 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7662 REMARK FILE_NAME : seed-1-36-0-1-1.crd Ignored bad PDB record found on line 7663 REMARK CLUSTER_NUM : 32 Ignored bad PDB record found on line 7664 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 7665 REMARK MEMBER_ENERGY : 53.779383 Ignored bad PDB record found on line 7666 REMARK MEMBER_SCORE : 53.779383 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7709 REMARK FILE_NAME : seed-1-30-0-1-1.crd Ignored bad PDB record found on line 7710 REMARK CLUSTER_NUM : 32 Ignored bad PDB record found on line 7711 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 7712 REMARK MEMBER_ENERGY : 53.824075 Ignored bad PDB record found on line 7713 REMARK MEMBER_SCORE : 53.824075 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7756 REMARK FILE_NAME : seed-1-41-1-0-0.crd Ignored bad PDB record found on line 7757 REMARK CLUSTER_NUM : 33 Ignored bad PDB record found on line 7758 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7759 REMARK MEMBER_ENERGY : 50.061082 Ignored bad PDB record found on line 7760 REMARK MEMBER_SCORE : 50.061082 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7803 REMARK FILE_NAME : seed-1-41-0-0-0.crd Ignored bad PDB record found on line 7804 REMARK CLUSTER_NUM : 33 Ignored bad PDB record found on line 7805 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7806 REMARK MEMBER_ENERGY : 51.268390 Ignored bad PDB record found on line 7807 REMARK MEMBER_SCORE : 51.268390 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7850 REMARK FILE_NAME : seed-1-40-0-1-1.crd Ignored bad PDB record found on line 7851 REMARK CLUSTER_NUM : 34 Ignored bad PDB record found on line 7852 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7853 REMARK MEMBER_ENERGY : 50.215975 Ignored bad PDB record found on line 7854 REMARK MEMBER_SCORE : 50.215975 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7897 REMARK FILE_NAME : seed-1-38-0-1-2.crd Ignored bad PDB record found on line 7898 REMARK CLUSTER_NUM : 34 Ignored bad PDB record found on line 7899 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7900 REMARK MEMBER_ENERGY : 52.795970 Ignored bad PDB record found on line 7901 REMARK MEMBER_SCORE : 52.795970 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7944 REMARK FILE_NAME : seed-1-41-0-0-3.crd Ignored bad PDB record found on line 7945 REMARK CLUSTER_NUM : 35 Ignored bad PDB record found on line 7946 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 7947 REMARK MEMBER_ENERGY : 50.343111 Ignored bad PDB record found on line 7948 REMARK MEMBER_SCORE : 50.343111 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 7991 REMARK FILE_NAME : seed-1-41-0-1-2.crd Ignored bad PDB record found on line 7992 REMARK CLUSTER_NUM : 35 Ignored bad PDB record found on line 7993 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 7994 REMARK MEMBER_ENERGY : 53.999227 Ignored bad PDB record found on line 7995 REMARK MEMBER_SCORE : 53.999227 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8038 REMARK FILE_NAME : seed-1-43-1-0-2.crd Ignored bad PDB record found on line 8039 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8040 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8041 REMARK MEMBER_ENERGY : 50.550637 Ignored bad PDB record found on line 8042 REMARK MEMBER_SCORE : 50.550637 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8085 REMARK FILE_NAME : seed-1-45-0-2-0.crd Ignored bad PDB record found on line 8086 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8087 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 8088 REMARK MEMBER_ENERGY : 51.993802 Ignored bad PDB record found on line 8089 REMARK MEMBER_SCORE : 51.993802 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8132 REMARK FILE_NAME : seed-1-43-0-3-1.crd Ignored bad PDB record found on line 8133 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8134 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 8135 REMARK MEMBER_ENERGY : 52.123155 Ignored bad PDB record found on line 8136 REMARK MEMBER_SCORE : 52.123155 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8179 REMARK FILE_NAME : seed-1-44-1-0-2.crd Ignored bad PDB record found on line 8180 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8181 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 8182 REMARK MEMBER_ENERGY : 52.836548 Ignored bad PDB record found on line 8183 REMARK MEMBER_SCORE : 52.836548 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8226 REMARK FILE_NAME : seed-1-44-0-2-0.crd Ignored bad PDB record found on line 8227 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8228 REMARK CLUSTER_MEMBER : 5 Ignored bad PDB record found on line 8229 REMARK MEMBER_ENERGY : 53.238445 Ignored bad PDB record found on line 8230 REMARK MEMBER_SCORE : 53.238445 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8273 REMARK FILE_NAME : seed-1-43-0-2-0.crd Ignored bad PDB record found on line 8274 REMARK CLUSTER_NUM : 36 Ignored bad PDB record found on line 8275 REMARK CLUSTER_MEMBER : 6 Ignored bad PDB record found on line 8276 REMARK MEMBER_ENERGY : 53.973216 Ignored bad PDB record found on line 8277 REMARK MEMBER_SCORE : 53.973216 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8320 REMARK FILE_NAME : seed-1-44-1-2-0.crd Ignored bad PDB record found on line 8321 REMARK CLUSTER_NUM : 37 Ignored bad PDB record found on line 8322 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8323 REMARK MEMBER_ENERGY : 50.564176 Ignored bad PDB record found on line 8324 REMARK MEMBER_SCORE : 50.564176 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8367 REMARK FILE_NAME : seed-1-51-0-3-0.crd Ignored bad PDB record found on line 8368 REMARK CLUSTER_NUM : 38 Ignored bad PDB record found on line 8369 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8370 REMARK MEMBER_ENERGY : 50.657596 Ignored bad PDB record found on line 8371 REMARK MEMBER_SCORE : 50.657596 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8414 REMARK FILE_NAME : seed-1-43-0-3-3.crd Ignored bad PDB record found on line 8415 REMARK CLUSTER_NUM : 39 Ignored bad PDB record found on line 8416 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8417 REMARK MEMBER_ENERGY : 50.674640 Ignored bad PDB record found on line 8418 REMARK MEMBER_SCORE : 50.674640 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8461 REMARK FILE_NAME : seed-1-44-0-3-0.crd Ignored bad PDB record found on line 8462 REMARK CLUSTER_NUM : 39 Ignored bad PDB record found on line 8463 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 8464 REMARK MEMBER_ENERGY : 50.976236 Ignored bad PDB record found on line 8465 REMARK MEMBER_SCORE : 50.976236 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8508 REMARK FILE_NAME : seed-1-44-0-3-3.crd Ignored bad PDB record found on line 8509 REMARK CLUSTER_NUM : 39 Ignored bad PDB record found on line 8510 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 8511 REMARK MEMBER_ENERGY : 52.381972 Ignored bad PDB record found on line 8512 REMARK MEMBER_SCORE : 52.381972 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8555 REMARK FILE_NAME : seed-1-30-0-3-3.crd Ignored bad PDB record found on line 8556 REMARK CLUSTER_NUM : 40 Ignored bad PDB record found on line 8557 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8558 REMARK MEMBER_ENERGY : 50.908540 Ignored bad PDB record found on line 8559 REMARK MEMBER_SCORE : 50.908540 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8602 REMARK FILE_NAME : seed-1-36-1-0-3.crd Ignored bad PDB record found on line 8603 REMARK CLUSTER_NUM : 40 Ignored bad PDB record found on line 8604 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 8605 REMARK MEMBER_ENERGY : 51.085874 Ignored bad PDB record found on line 8606 REMARK MEMBER_SCORE : 51.085874 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8649 REMARK FILE_NAME : seed-1-37-0-0-3.crd Ignored bad PDB record found on line 8650 REMARK CLUSTER_NUM : 40 Ignored bad PDB record found on line 8651 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 8652 REMARK MEMBER_ENERGY : 51.532877 Ignored bad PDB record found on line 8653 REMARK MEMBER_SCORE : 51.532877 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8696 REMARK FILE_NAME : seed-1-31-1-0-3.crd Ignored bad PDB record found on line 8697 REMARK CLUSTER_NUM : 40 Ignored bad PDB record found on line 8698 REMARK CLUSTER_MEMBER : 4 Ignored bad PDB record found on line 8699 REMARK MEMBER_ENERGY : 52.689352 Ignored bad PDB record found on line 8700 REMARK MEMBER_SCORE : 52.689352 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8743 REMARK FILE_NAME : seed-1-42-1-2-2.crd Ignored bad PDB record found on line 8744 REMARK CLUSTER_NUM : 41 Ignored bad PDB record found on line 8745 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8746 REMARK MEMBER_ENERGY : 50.962425 Ignored bad PDB record found on line 8747 REMARK MEMBER_SCORE : 50.962425 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8790 REMARK FILE_NAME : seed-1-45-0-1-3.crd Ignored bad PDB record found on line 8791 REMARK CLUSTER_NUM : 42 Ignored bad PDB record found on line 8792 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8793 REMARK MEMBER_ENERGY : 50.985099 Ignored bad PDB record found on line 8794 REMARK MEMBER_SCORE : 50.985099 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8837 REMARK FILE_NAME : seed-1-44-0-1-3.crd Ignored bad PDB record found on line 8838 REMARK CLUSTER_NUM : 42 Ignored bad PDB record found on line 8839 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 8840 REMARK MEMBER_ENERGY : 54.262245 Ignored bad PDB record found on line 8841 REMARK MEMBER_SCORE : 54.262245 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8884 REMARK FILE_NAME : seed-1-43-0-1-3.crd Ignored bad PDB record found on line 8885 REMARK CLUSTER_NUM : 43 Ignored bad PDB record found on line 8886 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8887 REMARK MEMBER_ENERGY : 51.076234 Ignored bad PDB record found on line 8888 REMARK MEMBER_SCORE : 51.076234 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8931 REMARK FILE_NAME : seed-1-44-0-2-3.crd Ignored bad PDB record found on line 8932 REMARK CLUSTER_NUM : 43 Ignored bad PDB record found on line 8933 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 8934 REMARK MEMBER_ENERGY : 53.332311 Ignored bad PDB record found on line 8935 REMARK MEMBER_SCORE : 53.332311 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 8978 REMARK FILE_NAME : seed-1-41-1-0-1.crd Ignored bad PDB record found on line 8979 REMARK CLUSTER_NUM : 44 Ignored bad PDB record found on line 8980 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 8981 REMARK MEMBER_ENERGY : 51.319827 Ignored bad PDB record found on line 8982 REMARK MEMBER_SCORE : 51.319827 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9025 REMARK FILE_NAME : seed-1-41-0-0-1.crd Ignored bad PDB record found on line 9026 REMARK CLUSTER_NUM : 45 Ignored bad PDB record found on line 9027 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 9028 REMARK MEMBER_ENERGY : 51.376033 Ignored bad PDB record found on line 9029 REMARK MEMBER_SCORE : 51.376033 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9072 REMARK FILE_NAME : seed-1-41-0-1-0.crd Ignored bad PDB record found on line 9073 REMARK CLUSTER_NUM : 46 Ignored bad PDB record found on line 9074 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 9075 REMARK MEMBER_ENERGY : 51.477575 Ignored bad PDB record found on line 9076 REMARK MEMBER_SCORE : 51.477575 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9119 REMARK FILE_NAME : seed-1-41-0-1-3.crd Ignored bad PDB record found on line 9120 REMARK CLUSTER_NUM : 46 Ignored bad PDB record found on line 9121 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 9122 REMARK MEMBER_ENERGY : 51.636209 Ignored bad PDB record found on line 9123 REMARK MEMBER_SCORE : 51.636209 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9166 REMARK FILE_NAME : seed-1-44-0-3-1.crd Ignored bad PDB record found on line 9167 REMARK CLUSTER_NUM : 47 Ignored bad PDB record found on line 9168 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 9169 REMARK MEMBER_ENERGY : 51.494717 Ignored bad PDB record found on line 9170 REMARK MEMBER_SCORE : 51.494717 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9213 REMARK FILE_NAME : seed-1-45-1-0-1.crd Ignored bad PDB record found on line 9214 REMARK CLUSTER_NUM : 47 Ignored bad PDB record found on line 9215 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 9216 REMARK MEMBER_ENERGY : 55.434578 Ignored bad PDB record found on line 9217 REMARK MEMBER_SCORE : 55.434578 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9260 REMARK FILE_NAME : seed-1-51-1-2-0.crd Ignored bad PDB record found on line 9261 REMARK CLUSTER_NUM : 48 Ignored bad PDB record found on line 9262 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 9263 REMARK MEMBER_ENERGY : 51.509672 Ignored bad PDB record found on line 9264 REMARK MEMBER_SCORE : 51.509672 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9307 REMARK FILE_NAME : seed-1-51-1-2-1.crd Ignored bad PDB record found on line 9308 REMARK CLUSTER_NUM : 48 Ignored bad PDB record found on line 9309 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 9310 REMARK MEMBER_ENERGY : 52.079956 Ignored bad PDB record found on line 9311 REMARK MEMBER_SCORE : 52.079956 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9354 REMARK FILE_NAME : seed-1-51-0-0-2.crd Ignored bad PDB record found on line 9355 REMARK CLUSTER_NUM : 48 Ignored bad PDB record found on line 9356 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 9357 REMARK MEMBER_ENERGY : 53.532413 Ignored bad PDB record found on line 9358 REMARK MEMBER_SCORE : 53.532413 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9401 REMARK FILE_NAME : seed-1-8-0-1-0.crd Ignored bad PDB record found on line 9402 REMARK CLUSTER_NUM : 49 Ignored bad PDB record found on line 9403 REMARK CLUSTER_MEMBER : 1 Ignored bad PDB record found on line 9404 REMARK MEMBER_ENERGY : 51.626004 Ignored bad PDB record found on line 9405 REMARK MEMBER_SCORE : 51.626004 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9448 REMARK FILE_NAME : seed-1-2-0-1-1.crd Ignored bad PDB record found on line 9449 REMARK CLUSTER_NUM : 49 Ignored bad PDB record found on line 9450 REMARK CLUSTER_MEMBER : 2 Ignored bad PDB record found on line 9451 REMARK MEMBER_ENERGY : 54.306266 Ignored bad PDB record found on line 9452 REMARK MEMBER_SCORE : 54.306266 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted Ignored bad PDB record found on line 9495 REMARK FILE_NAME : seed-1-18-0-1-1.crd Ignored bad PDB record found on line 9496 REMARK CLUSTER_NUM : 49 Ignored bad PDB record found on line 9497 REMARK CLUSTER_MEMBER : 3 Ignored bad PDB record found on line 9498 REMARK MEMBER_ENERGY : 56.755615 Ignored bad PDB record found on line 9499 REMARK MEMBER_SCORE : 56.755615 6 messages similar to the above omitted Duplicate atom serial number found: 4894 Duplicate atom serial number found: 4895 Duplicate atom serial number found: 4896 Duplicate atom serial number found: 4897 Duplicate atom serial number found: 4898 30 messages similar to the above omitted > open /Users/charlottexia/Desktop/ligand3_C8methyl/files/receptor.pdb Summary of feedback from opening /Users/charlottexia/Desktop/ligand3_C8methyl/files/receptor.pdb --- warnings | Ignored bad PDB record found on line 1 REMARK NONE * Ignored bad PDB record found on line 2 REMARK DATE: 3/10/26 3:35:36 CREATED BY USER: swissdock Chain information for receptor.pdb #2 --- Chain | Description ? | No description available Computing secondary structure > ui tool show ViewDock > open /Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb format > swissdock > hbonds #3.1-203 restrict #1#!2 & (main|ligand) reveal true 132 hydrogen bonds found ===== Log before crash end ===== Log: UCSF ChimeraX version: 1.11.1 (2026-01-23) © 2016-2025 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX OpenGL version: 4.1 Metal - 90.5 OpenGL renderer: Apple M1 OpenGL vendor: Apple Python: 3.11.9 Locale: en_US.UTF-8 Qt version: PyQt6 6.9.1, Qt 6.9.0 Qt runtime version: 6.9.2 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro17,1 Model Number: MYDC2B/A Chip: Apple M1 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 8 GB System Firmware Version: 13822.1.2 OS Loader Version: 13822.1.2 Software: System Software Overview: System Version: macOS 26.0.1 (25A362) Kernel Version: Darwin 25.0.0 Time since boot: 4 days, 9 hours, 32 minutes Graphics/Displays: Apple M1: Chipset Model: Apple M1 Type: GPU Bus: Built-In Total Number of Cores: 8 Vendor: Apple (0x106b) Metal Support: Metal 4 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 2560 x 1600 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: aiohappyeyeballs: 2.6.1 aiohttp: 3.13.1 aiosignal: 1.4.0 alabaster: 1.0.0 annotated-types: 0.7.0 anyio: 4.12.1 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 3.0.1 attrs: 25.4.0 babel: 2.17.0 beautifulsoup4: 4.13.5 blockdiag: 3.0.0 blosc2: 3.12.2 build: 1.3.0 certifi: 2025.7.14 cftime: 1.6.5 charset-normalizer: 3.4.4 ChimeraX-AddCharge: 1.5.20 ChimeraX-AddH: 2.2.8 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.6.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 3.1.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Animations: 1.0 ChimeraX-Aniso: 1.3.2 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.61.4 ChimeraX-AtomicLibrary: 14.2.1 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.3 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-Boltz: 1.1 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.2 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.6.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.5 ChimeraX-ChemGroup: 2.0.2 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.8 ChimeraX-CommandLine: 1.3.0 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.11.1 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.5 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.4 ChimeraX-Dicom: 1.2.7 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.4 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.4.1 ChimeraX-Hbonds: 2.5.3 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.4 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.7.3 ChimeraX-Label: 1.2 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.2 ChimeraX-Map: 1.3 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.2.2 ChimeraX-MCopy: 1.0 ChimeraX-MCPServer: 0.1.0 ChimeraX-MDcrds: 2.17.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-Minimize: 1.3.2 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.16 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.22 ChimeraX-ModelPanel: 1.6 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0.1 ChimeraX-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.15.2 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.12 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.5 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.4 ChimeraX-ProfileGrids: 1.4.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.5 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.3 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.2 ChimeraX-Scenes: 0.3.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.3 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.5.10 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.17.3 ChimeraX-Shape: 1.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.1 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.19.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5.2 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.49.1 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.2 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDock: 1.5.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.5 ChimeraX-Zone: 1.0.1 click: 8.3.1 colorama: 0.4.6 comm: 0.2.3 contourpy: 1.3.3 coverage: 7.13.1 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.1.4 debugpy: 1.8.19 decorator: 5.2.1 docutils: 0.21.2 executing: 2.2.1 filelock: 3.19.1 fonttools: 4.61.1 frozenlist: 1.8.0 funcparserlib: 2.0.0a0 glfw: 2.10.0 grako: 3.16.5 h11: 0.16.0 h5py: 3.15.1 html2text: 2025.4.15 httpcore: 1.0.9 httpx: 0.28.1 httpx-sse: 0.4.3 idna: 3.11 ihm: 2.2 imagecodecs: 2024.6.1 imagesize: 1.4.1 iniconfig: 2.3.0 ipykernel: 6.30.1 ipython: 9.5.0 ipython_pygments_lexers: 1.1.1 ipywidgets: 8.1.8 jedi: 0.19.2 Jinja2: 3.1.6 jsonschema: 4.26.0 jsonschema-specifications: 2025.9.1 jupyter_client: 8.6.3 jupyter_core: 5.9.1 jupyterlab_widgets: 3.0.16 kiwisolver: 1.4.9 line_profiler: 5.0.0 lxml: 6.0.2 lz4: 4.3.2 Markdown: 3.8.2 MarkupSafe: 3.0.3 matplotlib: 3.10.7 matplotlib-inline: 0.2.1 mcp: 1.18.0 msgpack: 1.1.1 multidict: 6.7.0 ndindex: 1.10.1 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.14.1 numpy: 1.26.4 OpenMM: 8.2.0 openvr: 1.26.701 packaging: 25.0 ParmEd: 4.2.2 parso: 0.8.5 pep517: 0.13.1 pexpect: 4.9.0 pickleshare: 0.7.5 pillow: 11.3.0 pip: 25.2 pkginfo: 1.12.1.2 platformdirs: 4.5.1 pluggy: 1.6.0 prompt_toolkit: 3.0.52 propcache: 0.4.1 psutil: 7.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pybind11: 3.0.1 pycollada: 0.8 pydantic: 2.12.5 pydantic-settings: 2.12.0 pydantic_core: 2.41.5 pydicom: 2.4.4 Pygments: 2.18.0 pynmrstar: 3.3.6 pynrrd: 1.0.0 PyOpenGL: 3.1.10 PyOpenGL-accelerate: 3.1.10 pyopenxr: 1.1.4501 pyparsing: 3.3.2 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.9.1 PyQt6-Qt6: 6.9.2 PyQt6-WebEngine-commercial: 6.9.0 PyQt6-WebEngine-Qt6: 6.9.2 PyQt6_sip: 13.10.2 pytest: 9.0.2 pytest-cov: 7.0.0 python-dateutil: 2.9.0.post0 python-dotenv: 1.2.1 python-multipart: 0.0.21 pyzmq: 27.1.0 qtconsole: 5.7.0 QtPy: 2.4.3 qtshim: 1.2 RandomWords: 0.4.0 referencing: 0.37.0 requests: 2.32.5 roman-numerals: 4.1.0 roman-numerals-py: 4.1.0 rpds-py: 0.30.0 scipy: 1.14.0 setuptools: 80.9.0 sfftk-rw: 0.8.1 six: 1.17.0 snowballstemmer: 3.0.1 sortedcontainers: 2.4.0 soupsieve: 2.8.3 Sphinx: 8.2.3 sphinx-autodoc-typehints: 3.2.0 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 sse-starlette: 3.2.0 stack-data: 0.6.3 starlette: 0.52.1 superqt: 0.7.6 tables: 3.10.2 tcia_utils: 1.5.1 tifffile: 2025.3.13 tinyarray: 1.2.5 tornado: 6.5.4 traitlets: 5.14.3 typing-inspection: 0.4.2 typing_extensions: 4.15.0 urllib3: 2.6.3 uvicorn: 0.40.0 wcwidth: 0.3.2 webcolors: 24.11.1 wheel: 0.45.1 wheel-filename: 1.4.2 widgetsnbextension: 4.0.15 yarl: 1.22.0 }}} " defect closed normal Window Toolkit nonchimerax all ChimeraX