﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
15645	Crash in garbage collection	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-13.1-arm64-arm-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x000000030a01f000 (most recent call first):
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 324 in wait
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 622 in wait
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1392 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Current thread 0x00000001efc6fa80 (most recent call first):
  Garbage-collecting
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/weakref.py"", line 576 in __init__
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 1613 in remove_deleted_pointers
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 134 in __init__
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 807 in __init__
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/ctypes_support.py"", line 31 in atoms
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molc.py"", line 177 in get_prop
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/changes.py"", line 208 in _update_sel_info
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/changes.py"", line 39 in check_for_changes
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/__init__.py"", line 77 in 
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py"", line 149 in invoke
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py"", line 248 in _activate
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py"", line 217 in activate
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py"", line 393 in activate_trigger
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 3005 in command_trigger
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/contextlib.py"", line 144 in __exit__
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 2899 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py"", line 49 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 292 in forward_keystroke
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/graphics.py"", line 61 in event
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 275 in event_loop
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 918 in init
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1069 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, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp, PIL._imagingmath, chimerax.mlp._mlp (total: 60)


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  ""procName"" : ""ChimeraX"",
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===== Log before crash start =====
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/huanggq/Desktop/1/RC-FMO-bc1/PDB/FMO-J6836-coot-1.pdb

Chain information for FMO-J6836-coot-1.pdb #1  
---  
Chain | Description  
B | No description available  
D | No description available  
I J K | No description available  
N P | No description available  
Q | No description available  
R W | No description available  
  

> hide atoms

> show cartoons

> lighting soft

> lighting full

> lighting soft

> set bgColor white

> hide atoms

> show atoms

> style stick

Changed 14611 atom styles  

> hide cartoons

> show cartoons

> hide atoms

> select ::name=""BCL""::name=""SF4""

1540 atoms, 1620 bonds, 132 pseudobonds, 26 residues, 2 models selected  

> show sel atoms

> select add #1

14611 atoms, 14976 bonds, 132 pseudobonds, 1683 residues, 2 models selected  

> select subtract #1

Nothing selected  

> hide #!1 models

> show #!1 models

> hide cartoons

> show cartoons

> open /Users/huanggq/Downloads/6m32.pdb

6m32.pdb title:  
Cryo-em structure of fmo-RC complex from green sulfur bacteria [more info...]  
  
Chain information for 6m32.pdb #2  
---  
Chain | Description | UniProt  
A a | photosystem P840 reaction center, large subunit | Q8KAY0_CHLTE 1-731  
B | photosystem P840 reaction center iron-sulfur protein | Q8KAY1_CHLTE 1-231  
D | P840 reaction center 17 kda protein | PSCD_CHLTE 1-143  
E F G | bacteriochlorophyll A protein | BCPA_CHLTE 1-366  
  
Non-standard residues in 6m32.pdb #2  
---  
BCL — bacteriochlorophyll A  
CA — calcium ion  
F26 —
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-
benzene  
F39 —
[(2R,3S,4S,5R,6R)-6-[(10E,12E,14E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl
dodecanoate  
G2O — chlorophyll A ester  
GS0 — bacteriochlorophyll A isomer  
LHG — 1,2-dipalmitoyl-phosphatidyl-glycerole  
LMG — 1,2-distearoyl-monogalactosyl-diglyceride  
SF4 — iron/sulfur cluster  
  

> hide atoms

> show cartoons

> hide #!1 models

> select add #2/G:221

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select add #2/E:172

12 atoms, 10 bonds, 2 residues, 1 model selected  

> select add #2/F:118

18 atoms, 15 bonds, 3 residues, 1 model selected  

> select up

359 atoms, 368 bonds, 46 residues, 1 model selected  

> select up

8588 atoms, 8816 bonds, 1081 residues, 1 model selected  

> select up

8591 atoms, 8816 bonds, 1081 residues, 1 model selected  

> select up

9917 atoms, 10226 bonds, 1102 residues, 1 model selected  

> select up

23566 atoms, 24401 bonds, 2590 residues, 1 model selected  

> select down

9917 atoms, 10226 bonds, 1102 residues, 1 model selected  

> select ~sel & ##selected

13649 atoms, 14175 bonds, 154 pseudobonds, 1488 residues, 3 models selected  

> delete atoms (#!2 & sel)

> delete bonds (#!2 & sel)

> show #!1 models

> ui tool show Matchmaker

> matchmaker #!2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker FMO-J6836-coot-1.pdb, chain K (#1) with 6m32.pdb, chain E (#2),
sequence alignment score = 798.5  
RMSD between 299 pruned atom pairs is 0.910 angstroms; (across all 352 pairs:
2.011)  
  

> select add #1/I:244

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #1/I:245

17 atoms, 15 bonds, 2 residues, 1 model selected  

> select add #1/I:243

24 atoms, 21 bonds, 3 residues, 1 model selected  

> select add #1/I:242

31 atoms, 28 bonds, 4 residues, 1 model selected  

> select add #1/I:241

40 atoms, 36 bonds, 5 residues, 1 model selected  

> select add #1/I:246

44 atoms, 39 bonds, 6 residues, 1 model selected  

> select add #1/I:247

48 atoms, 42 bonds, 7 residues, 1 model selected  

> select add #1/I:240

52 atoms, 45 bonds, 8 residues, 1 model selected  

> show sel atoms

> select add #1/R:22

61 atoms, 53 bonds, 9 residues, 1 model selected  

> select add #1/R:21

68 atoms, 60 bonds, 10 residues, 1 model selected  

> select add #1/R:53

76 atoms, 67 bonds, 11 residues, 1 model selected  

> select subtract #1/R:53

68 atoms, 60 bonds, 10 residues, 1 model selected  

> select add #1/R:20

75 atoms, 66 bonds, 11 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> select add #1/Q:1

84 atoms, 74 bonds, 12 residues, 1 model selected  

> show sel atoms

> select add #1/Q:2

92 atoms, 81 bonds, 13 residues, 1 model selected  

> select add #2/G:87

100 atoms, 88 bonds, 14 residues, 2 models selected  

> select subtract #2/G:87

92 atoms, 81 bonds, 13 residues, 1 model selected  

> select add #1/Q:3

99 atoms, 88 bonds, 14 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> ui mousemode right distance

> distance #1/I:244@ND2 #1/Q:1@OE2

Distance between FMO-J6836-coot-1.pdb #1/I ASN 244 ND2 and /Q GLU 1 OE2:
7.400Å  

> coulombic sel

The following heavy (non-hydrogen) atoms are missing, which may result in
inaccurate electrostatics:  
FMO-J6836-coot-1.pdb #1/Q PRO 97 OXT  
FMO-J6836-coot-1.pdb #1/R LYS 65 OXT  

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for FMO-J6836-coot-1.pdb_I SES surface #1.2: minimum, -19.65,
mean -2.39, maximum 11.95  
Coulombic values for FMO-J6836-coot-1.pdb_Q SES surface #1.3: minimum, -16.41,
mean 2.29, maximum 13.73  
Coulombic values for FMO-J6836-coot-1.pdb_R SES surface #1.4: minimum, -15.08,
mean -0.16, maximum 9.40  
To also show corresponding color key, enter the above coulombic command and
add key true  

> select add #1

14611 atoms, 14976 bonds, 133 pseudobonds, 1683 residues, 6 models selected  

> select subtract #1

3 models selected  

> coulombic

The following heavy (non-hydrogen) atoms are missing, which may result in
inaccurate electrostatics:  
6m32.pdb #2/F GLN 366 OXT  
6m32.pdb #2/E GLN 366 OXT  
6m32.pdb #2/G GLN 366 OXT  
FMO-J6836-coot-1.pdb #1/B TRP 166 OXT  
FMO-J6836-coot-1.pdb #1/N TYR 94 OXT  
FMO-J6836-coot-1.pdb #1/P TYR 94 OXT  
FMO-J6836-coot-1.pdb #1/W LYS 65 OXT  
FMO-J6836-coot-1.pdb #1/D LEU 60 OXT  

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for FMO-J6836-coot-1.pdb_B SES surface #1.5: minimum, -17.35,
mean -4.77, maximum 15.63  
Coulombic values for FMO-J6836-coot-1.pdb_D SES surface #1.6: minimum, -14.99,
mean -1.92, maximum 9.14  
Coulombic values for FMO-J6836-coot-1.pdb_I SES surface #1.2: minimum, -19.65,
mean -2.39, maximum 11.95  
Coulombic values for FMO-J6836-coot-1.pdb_J SES surface #1.7: minimum, -21.38,
mean -2.45, maximum 12.26  
Coulombic values for FMO-J6836-coot-1.pdb_K SES surface #1.8: minimum, -19.88,
mean -2.35, maximum 12.49  
Coulombic values for FMO-J6836-coot-1.pdb_N SES surface #1.9: minimum, -11.49,
mean -0.32, maximum 9.45  
Coulombic values for FMO-J6836-coot-1.pdb_P SES surface #1.10: minimum,
-15.27, mean -0.33, maximum 9.91  
Coulombic values for FMO-J6836-coot-1.pdb_Q SES surface #1.3: minimum, -16.41,
mean 2.29, maximum 13.73  
Coulombic values for FMO-J6836-coot-1.pdb_R SES surface #1.4: minimum, -15.08,
mean -0.16, maximum 9.40  
Coulombic values for FMO-J6836-coot-1.pdb_W SES surface #1.11: minimum,
-15.61, mean -0.47, maximum 8.38  
Coulombic values for 6m32.pdb_E SES surface #2.3: minimum, -17.29, mean -1.28,
maximum 13.18  
Coulombic values for 6m32.pdb_F SES surface #2.4: minimum, -17.39, mean -1.15,
maximum 13.35  
Coulombic values for 6m32.pdb_G SES surface #2.5: minimum, -26.67, mean -1.16,
maximum 13.11  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> open /Users/huanggq/Downloads/5lcb.pdb

5lcb.pdb title:  
In situ atomic-resolution structure of the baseplate antenna complex In
chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo
electron microscopy and polarization spectroscopy [more info...]  
  
Chain information for 5lcb.pdb #4  
---  
Chain | Description | UniProt  
A B C D E F G H I J K L M N | bacteriochlorophyll C-binding protein |
CSMA_CHLTE 1-59  
  
Non-standard residues in 5lcb.pdb #4  
---  
BCL — bacteriochlorophyll A  
  

> hide #!1 models

> hide #!4 atoms

> show #!4 cartoons

> coulombic #!4

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for 5lcb.pdb_A SES surface #4.2: minimum, -16.61, mean -0.08,
maximum 12.71  
Coulombic values for 5lcb.pdb_B SES surface #4.3: minimum, -15.84, mean -0.08,
maximum 12.91  
Coulombic values for 5lcb.pdb_C SES surface #4.4: minimum, -14.55, mean -0.02,
maximum 12.67  
Coulombic values for 5lcb.pdb_D SES surface #4.5: minimum, -13.55, mean -0.06,
maximum 12.66  
Coulombic values for 5lcb.pdb_E SES surface #4.6: minimum, -14.35, mean -0.03,
maximum 12.12  
Coulombic values for 5lcb.pdb_F SES surface #4.7: minimum, -14.82, mean -0.05,
maximum 12.53  
Coulombic values for 5lcb.pdb_G SES surface #4.8: minimum, -15.67, mean -0.04,
maximum 12.31  
Coulombic values for 5lcb.pdb_H SES surface #4.9: minimum, -16.06, mean -0.03,
maximum 12.47  
Coulombic values for 5lcb.pdb_I SES surface #4.10: minimum, -14.24, mean
-0.07, maximum 12.68  
Coulombic values for 5lcb.pdb_J SES surface #4.11: minimum, -13.98, mean
-0.02, maximum 13.14  
Coulombic values for 5lcb.pdb_K SES surface #4.12: minimum, -14.39, mean 0.00,
maximum 13.00  
Coulombic values for 5lcb.pdb_L SES surface #4.13: minimum, -15.12, mean
-0.01, maximum 12.92  
Coulombic values for 5lcb.pdb_M SES surface #4.14: minimum, -14.69, mean
-0.04, maximum 12.67  
Coulombic values for 5lcb.pdb_N SES surface #4.15: minimum, -15.14, mean
-0.03, maximum 13.05  
To also show corresponding color key, enter the above coulombic command and
add key true  

> show #!4 cartoons

> color #!4 bychain

> show #!4 atoms

> hide #!4 atoms

> hide #!4 cartoons

> show #!4 cartoons

> color #!4 bypolymer

> style #!4 stick

Changed 13860 atom styles  

> style #!4 sphere

Changed 13860 atom styles  

> style #!4 ball

Changed 13860 atom styles  

> color #!4 byhetero

> color #!4 bychain

> close #4

> open /Users/huanggq/Downloads/5lcb.pdb

5lcb.pdb title:  
In situ atomic-resolution structure of the baseplate antenna complex In
chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo
electron microscopy and polarization spectroscopy [more info...]  
  
Chain information for 5lcb.pdb #4  
---  
Chain | Description | UniProt  
A B C D E F G H I J K L M N | bacteriochlorophyll C-binding protein |
CSMA_CHLTE 1-59  
  
Non-standard residues in 5lcb.pdb #4  
---  
BCL — bacteriochlorophyll A  
  

> hide #!4 atoms

> show #!4 cartoons

> ui tool show ""Show Sequence Viewer""

> sequence chain #4/A #4/B #4/C #4/D #4/E #4/F #4/G #4/H #4/I #4/J #4/K #4/L
> #4/M #4/N

Alignment identifier is 1  

> select #4/A-N:43-44

462 atoms, 448 bonds, 28 residues, 1 model selected  

> select #4/A-N:43-48

1428 atoms, 1428 bonds, 84 residues, 1 model selected  

> show sel atoms

> hide sel atoms

> color sel red

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for 5lcb.pdb_A SES surface #4.2: minimum, -16.61, mean -0.08,
maximum 12.71  
Coulombic values for 5lcb.pdb_B SES surface #4.3: minimum, -15.84, mean -0.08,
maximum 12.91  
Coulombic values for 5lcb.pdb_C SES surface #4.4: minimum, -14.55, mean -0.02,
maximum 12.67  
Coulombic values for 5lcb.pdb_D SES surface #4.5: minimum, -13.55, mean -0.06,
maximum 12.66  
Coulombic values for 5lcb.pdb_E SES surface #4.6: minimum, -14.35, mean -0.03,
maximum 12.12  
Coulombic values for 5lcb.pdb_F SES surface #4.7: minimum, -14.82, mean -0.05,
maximum 12.53  
Coulombic values for 5lcb.pdb_G SES surface #4.8: minimum, -15.67, mean -0.04,
maximum 12.31  
Coulombic values for 5lcb.pdb_H SES surface #4.9: minimum, -16.06, mean -0.03,
maximum 12.47  
Coulombic values for 5lcb.pdb_I SES surface #4.10: minimum, -14.24, mean
-0.07, maximum 12.68  
Coulombic values for 5lcb.pdb_J SES surface #4.11: minimum, -13.98, mean
-0.02, maximum 13.14  
Coulombic values for 5lcb.pdb_K SES surface #4.12: minimum, -14.39, mean 0.00,
maximum 13.00  
Coulombic values for 5lcb.pdb_L SES surface #4.13: minimum, -15.12, mean
-0.01, maximum 12.92  
Coulombic values for 5lcb.pdb_M SES surface #4.14: minimum, -14.69, mean
-0.04, maximum 12.67  
Coulombic values for 5lcb.pdb_N SES surface #4.15: minimum, -15.14, mean
-0.03, maximum 13.05  
To also show corresponding color key, enter the above coulombic command and
add key true  

> select add #4

13860 atoms, 14000 bonds, 70 pseudobonds, 840 residues, 16 models selected  

> select subtract #4

14 models selected  

> mlp #!4

Map values for surface ""5lcb.pdb_A SES surface"": minimum -25.02, mean -2.542,
maximum 22.45  
Map values for surface ""5lcb.pdb_B SES surface"": minimum -26.05, mean -2.631,
maximum 22.98  
Map values for surface ""5lcb.pdb_C SES surface"": minimum -25.94, mean -2.635,
maximum 23.04  
Map values for surface ""5lcb.pdb_D SES surface"": minimum -25.73, mean -2.675,
maximum 23.07  
Map values for surface ""5lcb.pdb_E SES surface"": minimum -26.21, mean -2.567,
maximum 23.3  
Map values for surface ""5lcb.pdb_F SES surface"": minimum -25.97, mean -2.597,
maximum 23.32  
Map values for surface ""5lcb.pdb_G SES surface"": minimum -25.88, mean -2.646,
maximum 23.27  
Map values for surface ""5lcb.pdb_H SES surface"": minimum -26.29, mean -2.601,
maximum 22.99  
Map values for surface ""5lcb.pdb_I SES surface"": minimum -26.03, mean -2.609,
maximum 22.62  
Map values for surface ""5lcb.pdb_J SES surface"": minimum -25.06, mean -2.643,
maximum 22.95  
Map values for surface ""5lcb.pdb_K SES surface"": minimum -25.09, mean -2.675,
maximum 23.01  
Map values for surface ""5lcb.pdb_L SES surface"": minimum -26.36, mean -2.629,
maximum 22.7  
Map values for surface ""5lcb.pdb_M SES surface"": minimum -26.35, mean -2.607,
maximum 22.62  
Map values for surface ""5lcb.pdb_N SES surface"": minimum -25.7, mean -2.6,
maximum 23.85  
To also show corresponding color key, enter the above mlp command and add key
true  

> show #!1 models

> hide #!1 models

> mlp #!4

Map values for surface ""5lcb.pdb_A SES surface"": minimum -25.02, mean -2.542,
maximum 22.45  
Map values for surface ""5lcb.pdb_B SES surface"": minimum -26.05, mean -2.631,
maximum 22.98  
Map values for surface ""5lcb.pdb_C SES surface"": minimum -25.94, mean -2.635,
maximum 23.04  
Map values for surface ""5lcb.pdb_D SES surface"": minimum -25.73, mean -2.675,
maximum 23.07  
Map values for surface ""5lcb.pdb_E SES surface"": minimum -26.21, mean -2.567,
maximum 23.3  
Map values for surface ""5lcb.pdb_F SES surface"": minimum -25.97, mean -2.597,
maximum 23.32  
Map values for surface ""5lcb.pdb_G SES surface"": minimum -25.88, mean -2.646,
maximum 23.27  
Map values for surface ""5lcb.pdb_H SES surface"": minimum -26.29, mean -2.601,
maximum 22.99  
Map values for surface ""5lcb.pdb_I SES surface"": minimum -26.03, mean -2.609,
maximum 22.62  
Map values for surface ""5lcb.pdb_J SES surface"": minimum -25.06, mean -2.643,
maximum 22.95  
Map values for surface ""5lcb.pdb_K SES surface"": minimum -25.09, mean -2.675,
maximum 23.01  
Map values for surface ""5lcb.pdb_L SES surface"": minimum -26.36, mean -2.629,
maximum 22.7  
Map values for surface ""5lcb.pdb_M SES surface"": minimum -26.35, mean -2.607,
maximum 22.62  
Map values for surface ""5lcb.pdb_N SES surface"": minimum -25.7, mean -2.6,
maximum 23.85  
To also show corresponding color key, enter the above mlp command and add key
true  

> coulombic #!4

Coulombic values for 5lcb.pdb_A SES surface #4.2: minimum, -16.61, mean -0.08,
maximum 12.71  
Coulombic values for 5lcb.pdb_B SES surface #4.3: minimum, -15.84, mean -0.08,
maximum 12.91  
Coulombic values for 5lcb.pdb_C SES surface #4.4: minimum, -14.55, mean -0.02,
maximum 12.67  
Coulombic values for 5lcb.pdb_D SES surface #4.5: minimum, -13.55, mean -0.06,
maximum 12.66  
Coulombic values for 5lcb.pdb_E SES surface #4.6: minimum, -14.35, mean -0.03,
maximum 12.12  
Coulombic values for 5lcb.pdb_F SES surface #4.7: minimum, -14.82, mean -0.05,
maximum 12.53  
Coulombic values for 5lcb.pdb_G SES surface #4.8: minimum, -15.67, mean -0.04,
maximum 12.31  
Coulombic values for 5lcb.pdb_H SES surface #4.9: minimum, -16.06, mean -0.03,
maximum 12.47  
Coulombic values for 5lcb.pdb_I SES surface #4.10: minimum, -14.24, mean
-0.07, maximum 12.68  
Coulombic values for 5lcb.pdb_J SES surface #4.11: minimum, -13.98, mean
-0.02, maximum 13.14  
Coulombic values for 5lcb.pdb_K SES surface #4.12: minimum, -14.39, mean 0.00,
maximum 13.00  
Coulombic values for 5lcb.pdb_L SES surface #4.13: minimum, -15.12, mean
-0.01, maximum 12.92  
Coulombic values for 5lcb.pdb_M SES surface #4.14: minimum, -14.69, mean
-0.04, maximum 12.67  
Coulombic values for 5lcb.pdb_N SES surface #4.15: minimum, -15.14, mean
-0.03, maximum 13.05  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!4 models

> show #!1 models

> preset cartoons/nucleotides ribbons/slabs

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 20293 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> show #!2 models

> coulombic #!1-2

Coulombic values for FMO-J6836-coot-1.pdb_B SES surface #1.5: minimum, -17.35,
mean -4.77, maximum 15.63  
Coulombic values for FMO-J6836-coot-1.pdb_D SES surface #1.6: minimum, -14.99,
mean -1.92, maximum 9.14  
Coulombic values for FMO-J6836-coot-1.pdb_I SES surface #1.2: minimum, -19.65,
mean -2.39, maximum 11.95  
Coulombic values for FMO-J6836-coot-1.pdb_J SES surface #1.7: minimum, -21.38,
mean -2.45, maximum 12.26  
Coulombic values for FMO-J6836-coot-1.pdb_K SES surface #1.8: minimum, -19.88,
mean -2.35, maximum 12.49  
Coulombic values for FMO-J6836-coot-1.pdb_N SES surface #1.9: minimum, -11.49,
mean -0.32, maximum 9.45  
Coulombic values for FMO-J6836-coot-1.pdb_P SES surface #1.10: minimum,
-15.27, mean -0.33, maximum 9.91  
Coulombic values for FMO-J6836-coot-1.pdb_Q SES surface #1.3: minimum, -16.41,
mean 2.29, maximum 13.73  
Coulombic values for FMO-J6836-coot-1.pdb_R SES surface #1.4: minimum, -15.08,
mean -0.16, maximum 9.40  
Coulombic values for FMO-J6836-coot-1.pdb_W SES surface #1.11: minimum,
-15.61, mean -0.47, maximum 8.38  
Coulombic values for 6m32.pdb_E SES surface #2.3: minimum, -17.29, mean -1.28,
maximum 13.18  
Coulombic values for 6m32.pdb_F SES surface #2.4: minimum, -17.39, mean -1.15,
maximum 13.35  
Coulombic values for 6m32.pdb_G SES surface #2.5: minimum, -26.67, mean -1.16,
maximum 13.11  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #3.1 models

> show #3.1 models

> hide #!1 models

> open /Users/huanggq/Desktop/1/RC-FMO-bc1/PDB/typeI-J815-RC-FMO-
> bc1-240621.pdb

Chain information for typeI-J815-RC-FMO-bc1-240621.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E e | No description available  
F f | No description available  
G | No description available  
H h | No description available  
I J K | No description available  
L M | No description available  
N P | No description available  
O | No description available  
Q | No description available  
R W | No description available  
T U | No description available  
a | No description available  
c | No description available  
g | No description available  
  

> hide #!5 atoms

> show #!5 cartoons

Drag select of 317 residues  

> select up

3838 atoms, 3917 bonds, 479 residues, 1 model selected  

> select up

10345 atoms, 10582 bonds, 1317 residues, 1 model selected  

> select up

11869 atoms, 12202 bonds, 1341 residues, 1 model selected  

> select up

45509 atoms, 46776 bonds, 5270 residues, 1 model selected  

> select down

11869 atoms, 12202 bonds, 1341 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

Drag select of 13 residues  

> select add #5/N:82

93 atoms, 6 bonds, 14 residues, 1 model selected  

> select up

226 atoms, 222 bonds, 31 residues, 1 model selected  


===== Log before crash end =====

Log:
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 83
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,1
      Model Number: MK193CH/A
      Chip: Apple M1 Pro
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 8419.60.44
      OS Loader Version: 8419.60.44

Software:

    System Software Overview:

      System Version: macOS 13.1 (22C65)
      Kernel Version: Darwin 22.2.0
      Time since boot: 1天9小时46分钟

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 16
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3456 x 2234 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2022.12.7
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.13
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.2
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.5
    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: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.5
    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: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.1
    ChimeraX-CoreFormats: 1.2
    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: 1.1.3
    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: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    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-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    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: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.14
    ChimeraX-ModelPanel: 1.4
    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
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.4
    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: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.33.3
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    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: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.4
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.6.0
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    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: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9
}}}
"	defect	closed	normal		Core		duplicate		Tom Goddard				all	ChimeraX
