id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 9802 Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0 chimerax-bug-report@… Eric Pettersen "{{{ The following bug report has been submitted: Platform: macOS-13.5.2-arm64-arm-64bit ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC) Description Last time you used ChimeraX it crashed. Please describe steps that led to the crash here. Fatal Python error: Segmentation fault Current thread 0x00000001e4a5a080 (most recent call first): File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py"", line 275 in event_loop File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 892 in init File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 1043 in File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py"", line 87 in _run_code File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py"", line 197 in _run_module_as_main {""app_name"":""ChimeraX"",""timestamp"":""2023-09-18 15:02:13.00 -0400"",""app_version"":""1.6.1"",""slice_uuid"":""a5992708-d5b4-36ec-ac0a-e525f6105b56"",""build_version"":""1.6.1.0"",""platform"":1,""bundleID"":""edu.ucsf.cgl.ChimeraX"",""share_with_app_devs"":1,""is_first_party"":0,""bug_type"":""309"",""os_version"":""macOS 13.5.2 (22G91)"",""roots_installed"":0,""name"":""ChimeraX"",""incident_id"":""7ACA0302-99D5-4615-BD82-3B51BEC233C8""} { ""uptime"" : 280000, ""procRole"" : ""Background"", ""version"" : 2, ""userID"" : 501, ""deployVersion"" : 210, ""modelCode"" : ""Mac14,2"", ""coalitionID"" : 885, ""osVersion"" : { ""train"" : ""macOS 13.5.2"", ""build"" : ""22G91"", ""releaseType"" : ""User"" }, ""captureTime"" : ""2023-09-18 15:01:46.4366 -0400"", ""incident"" : ""7ACA0302-99D5-4615-BD82-3B51BEC233C8"", ""pid"" : 69443, ""translated"" : false, ""cpuType"" : ""ARM-64"", ""roots_installed"" : 0, ""bug_type"" : ""309"", ""procLaunch"" : ""2023-09-18 11:49:12.6828 -0400"", ""procStartAbsTime"" : 6630084134129, ""procExitAbsTime"" : 6896217218223, ""procName"" : ""ChimeraX"", ""procPath"" : ""\/Applications\/ChimeraX-1.6.1.app\/Contents\/MacOS\/ChimeraX"", ""bundleInfo"" : {""CFBundleShortVersionString"":""1.6.1"",""CFBundleVersion"":""1.6.1.0"",""CFBundleIdentifier"":""edu.ucsf.cgl.ChimeraX""}, ""storeInfo"" : {""deviceIdentifierForVendor"":""F2A0B2FA-B61F-5734-BA89-599109DA1F98"",""thirdParty"":true}, ""parentProc"" : ""launchd"", ""parentPid"" : 1, ""coalitionName"" : ""edu.ucsf.cgl.ChimeraX"", ""crashReporterKey"" : ""04CBAFB6-075B-CE76-D44A-FD9D049AF824"", ""codeSigningID"" : ""edu.ucsf.cgl.ChimeraX"", ""codeSigningTeamID"" : ""LWV8X224YF"", ""codeSigningFlags"" : 570491649, ""codeSigningValidationCategory"" : 6, ""codeSigningTrustLevel"" : 0, ""wakeTime"" : 6, ""sleepWakeUUID"" : ""B63AFAD8-8BE0-45A1-8791-F894A58981DB"", ""sip"" : ""enabled"", ""vmRegionInfo"" : ""0x18 is not in any region. 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VIRTUAL REGION \nREGION TYPE SIZE COUNT (non-coalesced) \n=========== ======= ======= \nActivity Tracing 256K 1 \nCG backing stores 7632K 11 \nCG image 208K 13 \nColorSync 528K 26 \nCoreAnimation 272K 17 \nCoreGraphics 64K 4 \nCoreUI image data 256K 4 \nFoundation 16K 1 \nKernel Alloc Once 32K 1 \nMALLOC 512.6M 91 \nMALLOC guard page 192K 10 \nMALLOC_MEDIUM (reserved) 832.0M 8 reserved VM address space (unallocated)\nMALLOC_NANO (reserved) 384.0M 1 reserved VM address space (unallocated)\nMach message 64K 2 \nOpenGL GLSL 384K 4 \nSTACK GUARD 704K 44 \nStack 181.0M 45 \nStack Guard 56.0M 1 \nVM_ALLOCATE 170.1M 357 \nVM_ALLOCATE (reserved) 384.0M 5 reserved VM address space (unallocated)\n__AUTH 1709K 351 \n__AUTH_CONST 28.0M 578 \n__CTF 824 1 \n__DATA 21.3M 757 \n__DATA_CONST 38.2M 759 \n__DATA_DIRTY 1957K 223 \n__FONT_DATA 2352 1 \n__GLSLBUILTINS 5174K 1 \n__INFO_FILTER 8 1 \n__LINKEDIT 835.7M 180 \n__OBJC_RO 66.4M 1 \n__OBJC_RW 2012K 1 \n__TEXT 871.3M 779 \ndyld private memory 272K 2 \nmapped file 222.8M 52 \nshared memory 3232K 29 \n=========== ======= ======= \nTOTAL 4.5G 4362 \nTOTAL, minus reserved VM space 3.0G 4362 \n"", ""legacyInfo"" : { ""threadTriggered"" : { ""name"" : ""CrBrowserMain"", ""queue"" : ""com.apple.main-thread"" } }, ""logWritingSignature"" : ""262a4c9f8899f9396a37a7d8b43fc873a9bf30bd"", ""trialInfo"" : { ""rollouts"" : [ { ""rolloutId"" : ""6425c75e4327780c10cc4252"", ""factorPackIds"" : { ""SIRI_HOME_AUTOMATION_INTENT_SELECTION_CACHE"" : ""642600a457e7664b1698eb32"" }, ""deploymentId"" : 240000004 }, { ""rolloutId"" : ""60da5e84ab0ca017dace9abf"", ""factorPackIds"" : { }, ""deploymentId"" : 240000008 } ], ""experiments"" : [ { ""treatmentId"" : ""3a3cf641-8471-4e4e-9ad4-81d0ede970fd"", ""experimentId"" : ""64a84dae90d82611a0bd7d3d"", ""deploymentId"" : 400000010 }, { ""treatmentId"" : ""6dd670af-0633-45e4-ae5f-122ae4df02be"", ""experimentId"" : ""64406ba83deb637ac8a04419"", ""deploymentId"" : 900000017 } ] } } ===== Log before crash start ===== Startup Messages --- warnings | Unable to find icon for toolbar provider 'Dump Bead Data' in bundle 'ChimeraX-GenomeTools' Unable to find icon for toolbar provider 'Highlight' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Bed Models' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Bead Overlap' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Genome Distance' in bundle 'ChimeraX-GenomeTools' 1 messages similar to the above omitted > camera ortho > cofr centerOfView > mousemode rightMode clip > mousemode alt rightMode ""contour level"" > mousemode alt leftMode ""move picked models"" > alias cofron cofr centerofview showpivot true > alias cofroff cofr centerofview showpivot false > alias symclip cofr centerofview; clip near -$1 far $1 position cofr > alias cootmode surface cap false; surface style solid; lighting flat; > graphics silhouettes false; style stick; ~rib; color ##num_residues gold; > color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size > stickradius 0.07; transparency 70; cofr centerofview; clip near -10 far 10 > position cofr; color ##~num_residues cornflower blue > alias cootmode_mesh surface cap false; surface style mesh; lighting flat; > graphics silhouettes false; style stick; ~rib; color ##num_residues gold; > color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size > stickradius 0.07; cofr centerofview; clip near -10 far 10 position cofr; > color ##~num_residues #3d60ffff; transparency 50 > alias ca_and_sidechains ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; > disp @P&nucleic&$1; style $1 stick; disp sidechain&$1; disp > ~backbone&nucleic&$1; size stickradius 0.1; size pseudobondradius 0.1 > alias ca_trace ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; disp > @P&nucleic&$1; style $1 stick; size stickradius 0.1; size pseudobondradius > 0.1 > alias map_sphere_15 surface unzone ##~num_residues; sel; close #10000; > marker #10000 position cofr; sel ~sel; surface zone ##~num_residues > nearAtoms sel distance 15; close #10000 > alias map_unsphere surface unzone ##~num_residues > alias default_mol_display ~disp; rib; rainbow chain palette RdYlBu-5; > lighting soft > alias hidemaps surface unzone ##~num_residues; sel; close #10000; marker > #10000 position cofr; sel ~sel; surface zone ##~num_residues nearAtoms sel > distance 0; close #10000 > alias showmaps surface unzone ##~num_residues > buttonpanel Shortcuts rows 3 columns 4 > buttonpanel Shortcuts add Vol_Viewer command ""tool show 'Volume Viewer'"" > buttonpanel Shortcuts add Model_Panel command ""tool show Models"" > buttonpanel Shortcuts add Log command ""tool show Log"" > buttonpanel Shortcuts add default_disp command default_mol_display > buttonpanel Shortcuts add map_sphere command map_sphere_15 > buttonpanel Shortcuts add map_unsphere command map_unsphere > buttonpanel Shortcuts add cofron command cofron > buttonpanel Shortcuts add cofroff command cofroff > buttonpanel Shortcuts add cootmode command cootmode > buttonpanel Shortcuts add mark_cofr command ""marker #10000 position cofr"" > buttonpanel Shortcuts add hidemaps command hidemaps > buttonpanel Shortcuts add showmaps command showmaps UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open > /Users/patrick/Documents/Research/scs7p/ESM/ESM_modification/esm_scs_fe_hem.pdb Chain information for esm_scs_fe_hem.pdb #1 --- Chain | Description A | No description available Unsupported scale factor (0.000000) detected on Display0 QPainter::begin: Paint device returned engine == 0, type: 3 ===== Log before crash end ===== Log: Startup Messages --- warnings | Unable to find icon for toolbar provider 'Dump Bead Data' in bundle 'ChimeraX-GenomeTools' Unable to find icon for toolbar provider 'Highlight' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Bed Models' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Bead Overlap' in bundle 'ChimeraX- GenomeTools' Unable to find icon for toolbar provider 'Genome Distance' in bundle 'ChimeraX-GenomeTools' 1 messages similar to the above omitted > camera ortho > cofr centerOfView > mousemode rightMode clip > mousemode alt rightMode ""contour level"" > mousemode alt leftMode ""move picked models"" > alias cofron cofr centerofview showpivot true > alias cofroff cofr centerofview showpivot false > alias symclip cofr centerofview; clip near -$1 far $1 position cofr > alias cootmode surface cap false; surface style solid; lighting flat; > graphics silhouettes false; style stick; ~rib; color ##num_residues gold; > color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size > stickradius 0.07; transparency 70; cofr centerofview; clip near -10 far 10 > position cofr; color ##~num_residues cornflower blue > alias cootmode_mesh surface cap false; surface style mesh; lighting flat; > graphics silhouettes false; style stick; ~rib; color ##num_residues gold; > color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size > stickradius 0.07; cofr centerofview; clip near -10 far 10 position cofr; > color ##~num_residues #3d60ffff; transparency 50 > alias ca_and_sidechains ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; > disp @P&nucleic&$1; style $1 stick; disp sidechain&$1; disp > ~backbone&nucleic&$1; size stickradius 0.1; size pseudobondradius 0.1 > alias ca_trace ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; disp > @P&nucleic&$1; style $1 stick; size stickradius 0.1; size pseudobondradius > 0.1 > alias map_sphere_15 surface unzone ##~num_residues; sel; close #10000; > marker #10000 position cofr; sel ~sel; surface zone ##~num_residues > nearAtoms sel distance 15; close #10000 > alias map_unsphere surface unzone ##~num_residues > alias default_mol_display ~disp; rib; rainbow chain palette RdYlBu-5; > lighting soft > alias hidemaps surface unzone ##~num_residues; sel; close #10000; marker > #10000 position cofr; sel ~sel; surface zone ##~num_residues nearAtoms sel > distance 0; close #10000 > alias showmaps surface unzone ##~num_residues > buttonpanel Shortcuts rows 3 columns 4 > buttonpanel Shortcuts add Vol_Viewer command ""tool show 'Volume Viewer'"" > buttonpanel Shortcuts add Model_Panel command ""tool show Models"" > buttonpanel Shortcuts add Log command ""tool show Log"" > buttonpanel Shortcuts add default_disp command default_mol_display > buttonpanel Shortcuts add map_sphere command map_sphere_15 > buttonpanel Shortcuts add map_unsphere command map_unsphere > buttonpanel Shortcuts add cofron command cofron > buttonpanel Shortcuts add cofroff command cofroff > buttonpanel Shortcuts add cootmode command cootmode > buttonpanel Shortcuts add mark_cofr command ""marker #10000 position cofr"" > buttonpanel Shortcuts add hidemaps command hidemaps > buttonpanel Shortcuts add showmaps command showmaps UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Volumes/KOBBY/run/open_QwikMD.pdb Summary of feedback from opening /Volumes/KOBBY/run/open_QwikMD.pdb --- warnings | Ignored bad PDB record found on line 100001 ATOM 186a0 H1 TIP3W8491 -53.190 21.986 28.409 1.00 0.00 WT4 H Ignored bad PDB record found on line 100002 ATOM 186a1 H2 TIP3W8491 -53.408 23.460 28.443 1.00 0.00 WT4 H Ignored bad PDB record found on line 100003 ATOM 186a2 OH2 TIP3W8492 -62.497 24.521 38.494 1.00 0.00 WT4 O Ignored bad PDB record found on line 100004 ATOM 186a3 H1 TIP3W8492 -63.232 24.695 39.067 1.00 0.00 WT4 H Ignored bad PDB record found on line 100005 ATOM 186a4 H2 TIP3W8492 -62.891 24.322 37.649 1.00 0.00 WT4 H 91 messages similar to the above omitted Duplicate atom serial number found: 18700 Duplicate atom serial number found: 18701 Duplicate atom serial number found: 18702 Duplicate atom serial number found: 18703 Duplicate atom serial number found: 18704 5 messages similar to the above omitted Ignored bad PDB record found on line 100107 ATOM 1870a H2 TIP3W8540 -0.005 38.510 51.366 1.00 0.00 WT4 H Ignored bad PDB record found on line 100108 ATOM 1870b OH2 TIP3W8541 -4.828 18.645 43.391 1.00 0.00 WT4 O Ignored bad PDB record found on line 100109 ATOM 1870c H1 TIP3W8541 -5.202 18.769 44.264 1.00 0.00 WT4 H Ignored bad PDB record found on line 100110 ATOM 1870d H2 TIP3W8541 -5.624 18.376 42.855 1.00 0.00 WT4 H Ignored bad PDB record found on line 100111 ATOM 1870e OH2 TIP3W8542 -6.564 29.510 57.415 1.00 0.00 WT4 O 1 messages similar to the above omitted Duplicate atom serial number found: 18710 Duplicate atom serial number found: 18711 Duplicate atom serial number found: 18712 Duplicate atom serial number found: 18713 Duplicate atom serial number found: 18714 5 messages similar to the above omitted Ignored bad PDB record found on line 100123 ATOM 1871a OH2 TIP3W8546 -7.609 30.629 52.163 1.00 0.00 WT4 O Ignored bad PDB record found on line 100124 ATOM 1871b H1 TIP3W8546 -7.858 30.727 51.184 1.00 0.00 WT4 H Ignored bad PDB record found on line 100125 ATOM 1871c H2 TIP3W8546 -8.174 31.322 52.538 1.00 0.00 WT4 H Ignored bad PDB record found on line 100126 ATOM 1871d OH2 TIP3W8547 -13.663 29.986 54.249 1.00 0.00 WT4 O Ignored bad PDB record found on line 100127 ATOM 1871e H1 TIP3W8547 -13.599 29.041 54.296 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18720 Duplicate atom serial number found: 18721 Duplicate atom serial number found: 18722 Duplicate atom serial number found: 18723 Duplicate atom serial number found: 18724 5 messages similar to the above omitted Ignored bad PDB record found on line 100139 ATOM 1872a H1 TIP3W8551 -58.347 36.125 9.087 1.00 0.00 WT4 H Ignored bad PDB record found on line 100140 ATOM 1872b H2 TIP3W8551 -58.584 35.131 10.235 1.00 0.00 WT4 H Ignored bad PDB record found on line 100141 ATOM 1872c OH2 TIP3W8553 -0.987 40.204 21.682 1.00 0.00 WT4 O Ignored bad PDB record found on line 100142 ATOM 1872d H1 TIP3W8553 -0.678 40.169 22.615 1.00 0.00 WT4 H Ignored bad PDB record found on line 100143 ATOM 1872e H2 TIP3W8553 -0.964 41.196 21.576 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18730 Duplicate atom serial number found: 18731 Duplicate atom serial number found: 18732 Duplicate atom serial number found: 18733 Duplicate atom serial number found: 18734 5 messages similar to the above omitted Ignored bad PDB record found on line 100155 ATOM 1873a H2 TIP3W8557 -10.901 26.506 49.169 1.00 0.00 WT4 H Ignored bad PDB record found on line 100156 ATOM 1873b OH2 TIP3W8558 -62.077 27.095 20.490 1.00 0.00 WT4 O Ignored bad PDB record found on line 100157 ATOM 1873c H1 TIP3W8558 -63.012 26.829 20.621 1.00 0.00 WT4 H Ignored bad PDB record found on line 100158 ATOM 1873d H2 TIP3W8558 -61.972 27.350 19.538 1.00 0.00 WT4 H Ignored bad PDB record found on line 100159 ATOM 1873e OH2 TIP3W8559 -11.844 11.973 34.827 1.00 0.00 WT4 O 1 messages similar to the above omitted Duplicate atom serial number found: 18740 Duplicate atom serial number found: 18741 Duplicate atom serial number found: 18742 Duplicate atom serial number found: 18743 Duplicate atom serial number found: 18744 5 messages similar to the above omitted Ignored bad PDB record found on line 100171 ATOM 1874a OH2 TIP3W8563 -2.990 38.986 33.089 1.00 0.00 WT4 O Ignored bad PDB record found on line 100172 ATOM 1874b H1 TIP3W8563 -2.114 39.298 32.822 1.00 0.00 WT4 H Ignored bad PDB record found on line 100173 ATOM 1874c H2 TIP3W8563 -2.969 37.958 32.986 1.00 0.00 WT4 H Ignored bad PDB record found on line 100174 ATOM 1874d OH2 TIP3W8564 -25.001 28.918 48.897 1.00 0.00 WT4 O Ignored bad PDB record found on line 100175 ATOM 1874e H1 TIP3W8564 -24.635 28.077 49.070 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18750 Duplicate atom serial number found: 18751 Duplicate atom serial number found: 18752 Duplicate atom serial number found: 18753 Duplicate atom serial number found: 18754 5 messages similar to the above omitted Ignored bad PDB record found on line 100187 ATOM 1875a H1 TIP3W8568 -24.624 35.170 51.929 1.00 0.00 WT4 H Ignored bad PDB record found on line 100188 ATOM 1875b H2 TIP3W8568 -23.675 35.316 53.125 1.00 0.00 WT4 H Ignored bad PDB record found on line 100189 ATOM 1875c OH2 TIP3W8569 -1.046 36.996 64.016 1.00 0.00 WT4 O Ignored bad PDB record found on line 100190 ATOM 1875d H1 TIP3W8569 -1.092 37.985 63.901 1.00 0.00 WT4 H Ignored bad PDB record found on line 100191 ATOM 1875e H2 TIP3W8569 -1.011 36.597 63.172 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18760 Duplicate atom serial number found: 18761 Duplicate atom serial number found: 18762 Duplicate atom serial number found: 18763 Duplicate atom serial number found: 18764 5 messages similar to the above omitted Ignored bad PDB record found on line 100203 ATOM 1876a H2 TIP3W8574 -60.536 28.836 20.633 1.00 0.00 WT4 H Ignored bad PDB record found on line 100204 ATOM 1876b OH2 TIP3W8575 -19.441 39.296 36.193 1.00 0.00 WT4 O Ignored bad PDB record found on line 100205 ATOM 1876c H1 TIP3W8575 -18.678 39.927 36.071 1.00 0.00 WT4 H Ignored bad PDB record found on line 100206 ATOM 1876d H2 TIP3W8575 -19.784 39.538 37.072 1.00 0.00 WT4 H Ignored bad PDB record found on line 100207 ATOM 1876e OH2 TIP3W8576 -54.047 38.158 19.327 1.00 0.00 WT4 O 1 messages similar to the above omitted Duplicate atom serial number found: 18770 Duplicate atom serial number found: 18771 Duplicate atom serial number found: 18772 Duplicate atom serial number found: 18773 Duplicate atom serial number found: 18774 5 messages similar to the above omitted Ignored bad PDB record found on line 100219 ATOM 1877a OH2 TIP3W8580 0.323 36.536 48.925 1.00 0.00 WT4 O Ignored bad PDB record found on line 100220 ATOM 1877b H1 TIP3W8580 0.087 37.437 48.645 1.00 0.00 WT4 H Ignored bad PDB record found on line 100221 ATOM 1877c H2 TIP3W8580 0.336 36.664 49.882 1.00 0.00 WT4 H Ignored bad PDB record found on line 100222 ATOM 1877d OH2 TIP3W8581 -0.982 22.369 53.571 1.00 0.00 WT4 O Ignored bad PDB record found on line 100223 ATOM 1877e H1 TIP3W8581 -1.750 22.880 53.318 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18780 Duplicate atom serial number found: 18781 Duplicate atom serial number found: 18782 Duplicate atom serial number found: 18783 Duplicate atom serial number found: 18784 5 messages similar to the above omitted Ignored bad PDB record found on line 100235 ATOM 1878a H1 TIP3W8585 -61.923 28.668 53.249 1.00 0.00 WT4 H Ignored bad PDB record found on line 100236 ATOM 1878b H2 TIP3W8585 -62.957 27.532 52.653 1.00 0.00 WT4 H Ignored bad PDB record found on line 100237 ATOM 1878c OH2 TIP3W8586 -4.613 33.406 57.058 1.00 0.00 WT4 O Ignored bad PDB record found on line 100238 ATOM 1878d H1 TIP3W8586 -5.222 33.107 57.742 1.00 0.00 WT4 H Ignored bad PDB record found on line 100239 ATOM 1878e H2 TIP3W8586 -3.936 33.864 57.615 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18790 Duplicate atom serial number found: 18791 Duplicate atom serial number found: 18792 Duplicate atom serial number found: 18793 Duplicate atom serial number found: 18794 5 messages similar to the above omitted Ignored bad PDB record found on line 100251 ATOM 1879a H2 TIP3W8591 -2.064 26.319 28.785 1.00 0.00 WT4 H Ignored bad PDB record found on line 100252 ATOM 1879b OH2 TIP3W8592 -6.965 44.414 13.948 1.00 0.00 WT4 O Ignored bad PDB record found on line 100253 ATOM 1879c H1 TIP3W8592 -7.843 44.344 13.626 1.00 0.00 WT4 H Ignored bad PDB record found on line 100254 ATOM 1879d H2 TIP3W8592 -7.039 44.503 14.922 1.00 0.00 WT4 H Ignored bad PDB record found on line 100255 ATOM 1879e OH2 TIP3W8593 -11.676 37.452 6.767 1.00 0.00 WT4 O 97 messages similar to the above omitted Duplicate atom serial number found: 18800 Duplicate atom serial number found: 18801 Duplicate atom serial number found: 18802 Duplicate atom serial number found: 18803 Duplicate atom serial number found: 18804 5 messages similar to the above omitted Ignored bad PDB record found on line 100363 ATOM 1880a OH2 TIP3W8633 -6.155 37.201 13.114 1.00 0.00 WT4 O Ignored bad PDB record found on line 100364 ATOM 1880b H1 TIP3W8633 -5.767 37.937 12.622 1.00 0.00 WT4 H Ignored bad PDB record found on line 100365 ATOM 1880c H2 TIP3W8633 -6.433 37.633 13.912 1.00 0.00 WT4 H Ignored bad PDB record found on line 100366 ATOM 1880d OH2 TIP3W8634 0.345 34.599 10.356 1.00 0.00 WT4 O Ignored bad PDB record found on line 100367 ATOM 1880e H1 TIP3W8634 0.371 35.563 10.747 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18810 Duplicate atom serial number found: 18811 Duplicate atom serial number found: 18812 Duplicate atom serial number found: 18813 Duplicate atom serial number found: 18814 5 messages similar to the above omitted Ignored bad PDB record found on line 100379 ATOM 1881a H1 TIP3W8638 -6.573 30.086 20.753 1.00 0.00 WT4 H Ignored bad PDB record found on line 100380 ATOM 1881b H2 TIP3W8638 -6.985 29.359 22.067 1.00 0.00 WT4 H Ignored bad PDB record found on line 100381 ATOM 1881c OH2 TIP3W8639 -13.112 37.695 34.440 1.00 0.00 WT4 O Ignored bad PDB record found on line 100382 ATOM 1881d H1 TIP3W8639 -13.050 38.258 35.193 1.00 0.00 WT4 H Ignored bad PDB record found on line 100383 ATOM 1881e H2 TIP3W8639 -13.753 38.128 33.866 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18820 Duplicate atom serial number found: 18821 Duplicate atom serial number found: 18822 Duplicate atom serial number found: 18823 Duplicate atom serial number found: 18824 5 messages similar to the above omitted Ignored bad PDB record found on line 100395 ATOM 1882a H2 TIP3W8644 -0.674 40.531 42.661 1.00 0.00 WT4 H Ignored bad PDB record found on line 100396 ATOM 1882b OH2 TIP3W8645 -63.731 31.107 32.573 1.00 0.00 WT4 O Ignored bad PDB record found on line 100397 ATOM 1882c H1 TIP3W8645 -64.057 30.489 33.262 1.00 0.00 WT4 H Ignored bad PDB record found on line 100398 ATOM 1882d H2 TIP3W8645 -64.034 32.015 32.743 1.00 0.00 WT4 H Ignored bad PDB record found on line 100399 ATOM 1882e OH2 TIP3W8646 -5.054 39.845 34.854 1.00 0.00 WT4 O 1 messages similar to the above omitted Duplicate atom serial number found: 18830 Duplicate atom serial number found: 18831 Duplicate atom serial number found: 18832 Duplicate atom serial number found: 18833 Duplicate atom serial number found: 18834 5 messages similar to the above omitted Ignored bad PDB record found on line 100411 ATOM 1883a OH2 TIP3W8650 -10.164 34.160 63.725 1.00 0.00 WT4 O Ignored bad PDB record found on line 100412 ATOM 1883b H1 TIP3W8650 -10.516 33.496 64.306 1.00 0.00 WT4 H Ignored bad PDB record found on line 100413 ATOM 1883c H2 TIP3W8650 -10.928 34.577 63.344 1.00 0.00 WT4 H Ignored bad PDB record found on line 100414 ATOM 1883d OH2 TIP3W8651 -16.617 45.384 62.346 1.00 0.00 WT4 O Ignored bad PDB record found on line 100415 ATOM 1883e H1 TIP3W8651 -16.486 45.966 63.116 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18840 Duplicate atom serial number found: 18841 Duplicate atom serial number found: 18842 Duplicate atom serial number found: 18843 Duplicate atom serial number found: 18844 5 messages similar to the above omitted Ignored bad PDB record found on line 100427 ATOM 1884a H1 TIP3W8657 -9.481 55.908 15.723 1.00 0.00 WT4 H Ignored bad PDB record found on line 100428 ATOM 1884b H2 TIP3W8657 -9.392 57.295 15.034 1.00 0.00 WT4 H Ignored bad PDB record found on line 100429 ATOM 1884c OH2 TIP3W8658 -61.920 39.698 41.889 1.00 0.00 WT4 O Ignored bad PDB record found on line 100430 ATOM 1884d H1 TIP3W8658 -62.507 39.194 41.277 1.00 0.00 WT4 H Ignored bad PDB record found on line 100431 ATOM 1884e H2 TIP3W8658 -62.379 40.537 42.020 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18850 Duplicate atom serial number found: 18851 Duplicate atom serial number found: 18852 Duplicate atom serial number found: 18853 Duplicate atom serial number found: 18854 5 messages similar to the above omitted Ignored bad PDB record found on line 100443 ATOM 1885a H2 TIP3W8663 -4.337 54.426 42.940 1.00 0.00 WT4 H Ignored bad PDB record found on line 100444 ATOM 1885b OH2 TIP3W8664 -16.066 46.804 44.481 1.00 0.00 WT4 O Ignored bad PDB record found on line 100445 ATOM 1885c H1 TIP3W8664 -16.620 47.533 44.779 1.00 0.00 WT4 H Ignored bad PDB record found on line 100446 ATOM 1885d H2 TIP3W8664 -16.718 46.069 44.342 1.00 0.00 WT4 H Ignored bad PDB record found on line 100447 ATOM 1885e OH2 TIP3W8665 -11.101 45.827 40.474 1.00 0.00 WT4 O 1 messages similar to the above omitted Duplicate atom serial number found: 18860 Duplicate atom serial number found: 18861 Duplicate atom serial number found: 18862 Duplicate atom serial number found: 18863 Duplicate atom serial number found: 18864 5 messages similar to the above omitted Ignored bad PDB record found on line 100459 ATOM 1886a OH2 TIP3W8669 -11.261 29.016 60.191 1.00 0.00 WT4 O Ignored bad PDB record found on line 100460 ATOM 1886b H1 TIP3W8669 -12.154 29.201 60.449 1.00 0.00 WT4 H Ignored bad PDB record found on line 100461 ATOM 1886c H2 TIP3W8669 -10.923 29.904 60.097 1.00 0.00 WT4 H Ignored bad PDB record found on line 100462 ATOM 1886d OH2 TIP3W8670 -3.330 44.986 48.332 1.00 0.00 WT4 O Ignored bad PDB record found on line 100463 ATOM 1886e H1 TIP3W8670 -2.623 45.233 48.880 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18870 Duplicate atom serial number found: 18871 Duplicate atom serial number found: 18872 Duplicate atom serial number found: 18873 Duplicate atom serial number found: 18874 5 messages similar to the above omitted Ignored bad PDB record found on line 100475 ATOM 1887a H1 TIP3W8677 -49.940 57.297 10.449 1.00 0.00 WT4 H Ignored bad PDB record found on line 100476 ATOM 1887b H2 TIP3W8677 -50.012 55.984 9.632 1.00 0.00 WT4 H Ignored bad PDB record found on line 100477 ATOM 1887c OH2 TIP3W8678 -17.278 50.475 21.157 1.00 0.00 WT4 O Ignored bad PDB record found on line 100478 ATOM 1887d H1 TIP3W8678 -17.670 49.718 21.667 1.00 0.00 WT4 H Ignored bad PDB record found on line 100479 ATOM 1887e H2 TIP3W8678 -18.003 51.129 21.026 1.00 0.00 WT4 H 1 messages similar to the above omitted Duplicate atom serial number found: 18880 Duplicate atom serial number found: 18881 Duplicate atom serial number found: 18882 Duplicate atom serial number found: 18883 Duplicate atom serial number found: 18884 5 messages similar to the above omitted Ignored bad PDB record found on line 100491 ATOM 1888a H2 TIP3W8682 -0.978 43.395 22.285 1.00 0.00 WT4 H Ignored bad PDB record found on line 100492 ATOM 1888b OH2 TIP3W8683 -63.593 37.187 27.273 1.00 0.00 WT4 O Ignored bad PDB record found on line 100493 ATOM 1888c H1 TIP3W8683 -63.854 37.234 26.393 1.00 0.00 WT4 H Ignored bad PDB record found on line 100494 ATOM 1888d H2 TIP3W8683 -62.893 37.820 27.260 1.00 0.00 WT4 H [lots of this deleted] 1 messages similar to the above omitted Duplicate atom serial number found: 29850 Duplicate atom serial number found: 29851 Duplicate atom serial number found: 29852 Duplicate atom serial number found: 29853 Duplicate atom serial number found: 29854 5 messages similar to the above omitted Ignored bad PDB record found on line 170075 ATOM 2985a H1 TIP3W1394 14.956 9.508 34.269 1.00 0.00 WT8 H Ignored bad PDB record found on line 170076 ATOM 2985b H2 TIP3W1394 15.463 8.014 34.644 1.00 0.00 WT8 H Ignored bad PDB record found on line 170077 ATOM 2985c OH2 TIP3W1395 5.064 9.805 46.281 1.00 0.00 WT8 O Ignored bad PDB record found on line 170078 ATOM 2985d H1 TIP3W1395 4.427 9.308 45.718 1.00 0.00 WT8 H Ignored bad PDB record found on line 170079 ATOM 2985e H2 TIP3W1395 4.649 9.723 47.155 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29860 Duplicate atom serial number found: 29861 Duplicate atom serial number found: 29862 Duplicate atom serial number found: 29863 Duplicate atom serial number found: 29864 5 messages similar to the above omitted Ignored bad PDB record found on line 170091 ATOM 2986a H2 TIP3W1400 8.944 14.746 52.803 1.00 0.00 WT8 H Ignored bad PDB record found on line 170092 ATOM 2986b OH2 TIP3W1401 2.856 8.035 45.500 1.00 0.00 WT8 O Ignored bad PDB record found on line 170093 ATOM 2986c H1 TIP3W1401 3.213 7.287 45.005 1.00 0.00 WT8 H Ignored bad PDB record found on line 170094 ATOM 2986d H2 TIP3W1401 2.377 7.569 46.208 1.00 0.00 WT8 H Ignored bad PDB record found on line 170095 ATOM 2986e OH2 TIP3W1402 11.737 23.771 55.207 1.00 0.00 WT8 O 1 messages similar to the above omitted Duplicate atom serial number found: 29870 Duplicate atom serial number found: 29871 Duplicate atom serial number found: 29872 Duplicate atom serial number found: 29873 Duplicate atom serial number found: 29874 5 messages similar to the above omitted Ignored bad PDB record found on line 170107 ATOM 2987a OH2 TIP3W1408 5.618 26.981 7.090 1.00 0.00 WT8 O Ignored bad PDB record found on line 170108 ATOM 2987b H1 TIP3W1408 6.343 26.603 7.524 1.00 0.00 WT8 H Ignored bad PDB record found on line 170109 ATOM 2987c H2 TIP3W1408 4.957 26.333 7.128 1.00 0.00 WT8 H Ignored bad PDB record found on line 170110 ATOM 2987d OH2 TIP3W1409 3.927 7.726 61.567 1.00 0.00 WT8 O Ignored bad PDB record found on line 170111 ATOM 2987e H1 TIP3W1409 4.578 7.232 62.158 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29880 Duplicate atom serial number found: 29881 Duplicate atom serial number found: 29882 Duplicate atom serial number found: 29883 Duplicate atom serial number found: 29884 5 messages similar to the above omitted Ignored bad PDB record found on line 170123 ATOM 2988a H1 TIP3W1418 12.060 4.237 25.345 1.00 0.00 WT8 H Ignored bad PDB record found on line 170124 ATOM 2988b H2 TIP3W1418 12.875 3.168 26.016 1.00 0.00 WT8 H Ignored bad PDB record found on line 170125 ATOM 2988c OH2 TIP3W1419 14.901 22.981 45.638 1.00 0.00 WT8 O Ignored bad PDB record found on line 170126 ATOM 2988d H1 TIP3W1419 15.620 23.474 45.163 1.00 0.00 WT8 H Ignored bad PDB record found on line 170127 ATOM 2988e H2 TIP3W1419 14.758 22.124 45.223 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29890 Duplicate atom serial number found: 29891 Duplicate atom serial number found: 29892 Duplicate atom serial number found: 29893 Duplicate atom serial number found: 29894 5 messages similar to the above omitted Ignored bad PDB record found on line 170139 ATOM 2989a H2 TIP3W1423 55.252 10.981 57.099 1.00 0.00 WT8 H Ignored bad PDB record found on line 170140 ATOM 2989b OH2 TIP3W1424 18.671 10.674 53.631 1.00 0.00 WT8 O Ignored bad PDB record found on line 170141 ATOM 2989c H1 TIP3W1424 18.959 11.088 52.831 1.00 0.00 WT8 H Ignored bad PDB record found on line 170142 ATOM 2989d H2 TIP3W1424 18.442 9.762 53.335 1.00 0.00 WT8 H Ignored bad PDB record found on line 170143 ATOM 2989e OH2 TIP3W1426 12.123 16.423 62.742 1.00 0.00 WT8 O 97 messages similar to the above omitted Duplicate atom serial number found: 29900 Duplicate atom serial number found: 29901 Duplicate atom serial number found: 29902 Duplicate atom serial number found: 29903 Duplicate atom serial number found: 29904 5 messages similar to the above omitted Ignored bad PDB record found on line 170251 ATOM 2990a OH2 TIP3W1481 21.557 25.861 38.954 1.00 0.00 WT8 O Ignored bad PDB record found on line 170252 ATOM 2990b H1 TIP3W1481 21.097 25.226 38.334 1.00 0.00 WT8 H Ignored bad PDB record found on line 170253 ATOM 2990c H2 TIP3W1481 20.781 26.104 39.582 1.00 0.00 WT8 H Ignored bad PDB record found on line 170254 ATOM 2990d OH2 TIP3W1482 59.199 19.586 30.134 1.00 0.00 WT8 O Ignored bad PDB record found on line 170255 ATOM 2990e H1 TIP3W1482 60.111 19.622 30.056 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29910 Duplicate atom serial number found: 29911 Duplicate atom serial number found: 29912 Duplicate atom serial number found: 29913 Duplicate atom serial number found: 29914 5 messages similar to the above omitted Ignored bad PDB record found on line 170267 ATOM 2991a H1 TIP3W1486 2.826 26.726 56.387 1.00 0.00 WT8 H Ignored bad PDB record found on line 170268 ATOM 2991b H2 TIP3W1486 3.180 26.679 54.867 1.00 0.00 WT8 H Ignored bad PDB record found on line 170269 ATOM 2991c OH2 TIP3W1488 12.589 33.713 56.495 1.00 0.00 WT8 O Ignored bad PDB record found on line 170270 ATOM 2991d H1 TIP3W1488 13.433 33.166 56.502 1.00 0.00 WT8 H Ignored bad PDB record found on line 170271 ATOM 2991e H2 TIP3W1488 11.988 33.155 56.980 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29920 Duplicate atom serial number found: 29921 Duplicate atom serial number found: 29922 Duplicate atom serial number found: 29923 Duplicate atom serial number found: 29924 5 messages similar to the above omitted Ignored bad PDB record found on line 170283 ATOM 2992a H2 TIP3W1495 29.142 24.205 59.144 1.00 0.00 WT8 H Ignored bad PDB record found on line 170284 ATOM 2992b OH2 TIP3W1498 11.792 54.644 29.195 1.00 0.00 WT8 O Ignored bad PDB record found on line 170285 ATOM 2992c H1 TIP3W1498 12.173 54.774 28.277 1.00 0.00 WT8 H Ignored bad PDB record found on line 170286 ATOM 2992d H2 TIP3W1498 10.862 54.390 28.965 1.00 0.00 WT8 H Ignored bad PDB record found on line 170287 ATOM 2992e OH2 TIP3W1499 13.086 28.075 25.963 1.00 0.00 WT8 O 1 messages similar to the above omitted Duplicate atom serial number found: 29930 Duplicate atom serial number found: 29931 Duplicate atom serial number found: 29932 Duplicate atom serial number found: 29933 Duplicate atom serial number found: 29934 5 messages similar to the above omitted Ignored bad PDB record found on line 170299 ATOM 2993a OH2 TIP3W1504 18.482 26.620 35.781 1.00 0.00 WT8 O Ignored bad PDB record found on line 170300 ATOM 2993b H1 TIP3W1504 17.789 26.383 35.173 1.00 0.00 WT8 H Ignored bad PDB record found on line 170301 ATOM 2993c H2 TIP3W1504 18.081 27.195 36.441 1.00 0.00 WT8 H Ignored bad PDB record found on line 170302 ATOM 2993d OH2 TIP3W1505 9.021 26.517 53.298 1.00 0.00 WT8 O Ignored bad PDB record found on line 170303 ATOM 2993e H1 TIP3W1505 9.435 25.670 53.032 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29940 Duplicate atom serial number found: 29941 Duplicate atom serial number found: 29942 Duplicate atom serial number found: 29943 Duplicate atom serial number found: 29944 5 messages similar to the above omitted Ignored bad PDB record found on line 170315 ATOM 2994a H1 TIP3W1512 12.343 22.234 16.800 1.00 0.00 WT8 H Ignored bad PDB record found on line 170316 ATOM 2994b H2 TIP3W1512 10.924 22.267 16.798 1.00 0.00 WT8 H Ignored bad PDB record found on line 170317 ATOM 2994c OH2 TIP3W1513 13.002 29.990 60.977 1.00 0.00 WT8 O Ignored bad PDB record found on line 170318 ATOM 2994d H1 TIP3W1513 12.639 30.938 60.838 1.00 0.00 WT8 H Ignored bad PDB record found on line 170319 ATOM 2994e H2 TIP3W1513 12.251 29.395 60.716 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29950 Duplicate atom serial number found: 29951 Duplicate atom serial number found: 29952 Duplicate atom serial number found: 29953 Duplicate atom serial number found: 29954 5 messages similar to the above omitted Ignored bad PDB record found on line 170331 ATOM 2995a H2 TIP3W1520 11.247 30.518 41.485 1.00 0.00 WT8 H Ignored bad PDB record found on line 170332 ATOM 2995b OH2 TIP3W1522 6.601 32.351 38.959 1.00 0.00 WT8 O Ignored bad PDB record found on line 170333 ATOM 2995c H1 TIP3W1522 7.366 32.334 38.299 1.00 0.00 WT8 H Ignored bad PDB record found on line 170334 ATOM 2995d H2 TIP3W1522 5.994 31.687 38.556 1.00 0.00 WT8 H Ignored bad PDB record found on line 170335 ATOM 2995e OH2 TIP3W1523 18.371 30.938 35.295 1.00 0.00 WT8 O 1 messages similar to the above omitted Duplicate atom serial number found: 29960 Duplicate atom serial number found: 29961 Duplicate atom serial number found: 29962 Duplicate atom serial number found: 29963 Duplicate atom serial number found: 29964 5 messages similar to the above omitted Ignored bad PDB record found on line 170347 ATOM 2996a OH2 TIP3W1527 2.342 34.803 48.060 1.00 0.00 WT8 O Ignored bad PDB record found on line 170348 ATOM 2996b H1 TIP3W1527 1.686 34.120 48.072 1.00 0.00 WT8 H Ignored bad PDB record found on line 170349 ATOM 2996c H2 TIP3W1527 1.872 35.603 48.416 1.00 0.00 WT8 H Ignored bad PDB record found on line 170350 ATOM 2996d OH2 TIP3W1528 24.530 46.248 52.685 1.00 0.00 WT8 O Ignored bad PDB record found on line 170351 ATOM 2996e H1 TIP3W1528 25.235 46.054 53.271 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29970 Duplicate atom serial number found: 29971 Duplicate atom serial number found: 29972 Duplicate atom serial number found: 29973 Duplicate atom serial number found: 29974 5 messages similar to the above omitted Ignored bad PDB record found on line 170363 ATOM 2997a H1 TIP3W1532 13.942 23.831 21.809 1.00 0.00 WT8 H Ignored bad PDB record found on line 170364 ATOM 2997b H2 TIP3W1532 15.356 24.287 21.795 1.00 0.00 WT8 H Ignored bad PDB record found on line 170365 ATOM 2997c OH2 TIP3W1533 7.665 18.057 61.689 1.00 0.00 WT8 O Ignored bad PDB record found on line 170366 ATOM 2997d H1 TIP3W1533 7.101 17.740 60.973 1.00 0.00 WT8 H Ignored bad PDB record found on line 170367 ATOM 2997e H2 TIP3W1533 8.583 18.017 61.310 1.00 0.00 WT8 H 1 messages similar to the above omitted Duplicate atom serial number found: 29980 Duplicate atom serial number found: 29981 Duplicate atom serial number found: 29982 Duplicate atom serial number found: 29983 Duplicate atom serial number found: 29984 5 messages similar to the above omitted Ignored bad PDB record found on line 170379 ATOM 2998a H2 TIP3W1537 17.003 36.573 17.765 1.00 0.00 WT8 H Ignored bad PDB record found on line 170380 ATOM 2998b OH2 TIP3W1538 16.330 33.816 19.141 1.00 0.00 WT8 O Ignored bad PDB record found on line 170381 ATOM 2998c H1 TIP3W1538 16.406 34.443 18.380 1.00 0.00 WT8 H Ignored bad PDB record found on line 170382 ATOM 2998d H2 TIP3W1538 17.185 33.913 19.578 1.00 0.00 WT8 H Ignored bad PDB record found on line 170383 ATOM 2998e OH2 TIP3W1540 19.061 35.691 23.493 1.00 0.00 WT8 O 1 messages similar to the above omitted Duplicate atom serial number found: 29990 Duplicate atom serial number found: 29991 Duplicate atom serial number found: 29992 Duplicate atom serial number found: 29993 Duplicate atom serial number found: 29994 5 messages similar to the above omitted Ignored bad PDB record found on line 170395 ATOM 2999a OH2 TIP3W1545 18.044 33.672 39.263 1.00 0.00 WT8 O Ignored bad PDB record found on line 170396 ATOM 2999b H1 TIP3W1545 17.680 33.729 40.207 1.00 0.00 WT8 H Ignored bad PDB record found on line 170397 ATOM 2999c H2 TIP3W1545 17.709 34.576 38.902 1.00 0.00 WT8 H Ignored bad PDB record found on line 170398 ATOM 2999d OH2 TIP3W1546 2.996 36.021 35.397 1.00 0.00 WT8 O Ignored bad PDB record found on line 170399 ATOM 2999e H1 TIP3W1546 2.508 35.246 35.096 1.00 0.00 WT8 H 17324 messages similar to the above omitted Chain information for open_QwikMD.pdb #1 --- Chain | Description A | No description available OpenGL version: 4.1 Metal - 83.1 OpenGL renderer: Apple M2 OpenGL vendor: Apple Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Air Model Identifier: Mac14,2 Model Number: Z160000AKLL/A Chip: Apple M2 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 8 GB System Firmware Version: 8422.141.2 OS Loader Version: 8422.141.2 Software: System Software Overview: System Version: macOS 13.5.2 (22G91) Kernel Version: Darwin 22.6.0 Time since boot: 5 days, 20 hours, 46 minutes Graphics/Displays: Apple M2: Chipset Model: Apple M2 Type: GPU Bus: Built-In Total Number of Cores: 8 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-in Liquid Retina Display Resolution: 2560 x 1664 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal DELL U2417H: Resolution: 1920 x 1080 (1080p FHD - Full High Definition) UI Looks like: 1920 x 1080 @ 60.00Hz Mirror: Off Online: Yes Rotation: Supported Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 appnope: 0.1.3 asttokens: 2.2.1 Babel: 2.12.1 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 build: 0.10.0 certifi: 2021.10.8 cftime: 1.6.2 charset-normalizer: 3.1.0 ChimeraX-AddCharge: 1.5.9.1 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.3.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.9.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.43.10 ChimeraX-AtomicLibrary: 10.0.6 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.1 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.8 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3.1 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.3 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.6.1 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.1 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-GenomeTools: 0.9 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-Label: 1.1.7 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.2 ChimeraX-Map: 1.1.4 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: 2.0.12 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.9 ChimeraX-ModelPanel: 1.3.7 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.0 ChimeraX-NRRD: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.10.1 ChimeraX-OpenCommands: 1.1 ChimeraX-PDB: 2.7.2 ChimeraX-PDBBio: 1.0 ChimeraX-PDBImages: 1.1 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-QScore: 1.0 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 3.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.1 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.8.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.1 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.10.3 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Topography: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.28.4 ChimeraX-uniprot: 2.2.2 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.1 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.1.3 contourpy: 1.0.7 cxservices: 1.2.2 cycler: 0.11.0 Cython: 0.29.33 debugpy: 1.6.7 decorator: 5.1.1 docutils: 0.19 executing: 1.2.0 filelock: 3.9.0 fonttools: 4.39.3 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.8.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.35 imagecodecs: 2022.2.22 imagesize: 1.4.1 importlib-metadata: 6.6.0 ipykernel: 6.21.1 ipython: 8.10.0 ipython-genutils: 0.2.0 ipywidgets: 8.0.6 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.0.2 jupyter-core: 5.3.0 jupyterlab-widgets: 3.0.7 kiwisolver: 1.4.4 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.2 matplotlib: 3.6.3 matplotlib-inline: 0.1.6 MolecularDynamicsViewer: 1.4 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.2 networkx: 2.8.8 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.4 numpy: 1.23.5 openvr: 1.23.701 packaging: 21.3 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 9.3.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 3.5.0 prompt-toolkit: 3.0.38 psutil: 5.9.4 ptyprocess: 0.7.0 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.14.0 pynrrd: 1.0.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.4.2 PyQt6-Qt6: 6.4.3 PyQt6-sip: 13.4.1 PyQt6-WebEngine-commercial: 6.4.0 PyQt6-WebEngine-Qt6: 6.4.3 python-dateutil: 2.8.2 pytz: 2023.3 pyzmq: 25.0.2 qtconsole: 5.4.0 QtPy: 2.3.1 RandomWords: 0.4.0 requests: 2.28.2 scipy: 1.9.3 Send2Trash: 1.8.2 SEQCROW: 1.7.3 setuptools: 67.4.0 setuptools-scm: 7.0.5 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.4.1 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.4 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.1 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 stack-data: 0.6.2 tables: 3.7.0 tcia-utils: 1.2.0 tifffile: 2022.10.10 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.3.1 traitlets: 5.9.0 typing-extensions: 4.5.0 tzdata: 2023.3 urllib3: 1.26.15 wcwidth: 0.2.6 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.7 zipp: 3.15.0 }}} " defect closed normal Window Toolkit duplicate Tom Goddard all ChimeraX