﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
16316	Crash on Mac waking from sleep	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-14.6-arm64-arm-64bit
ChimeraX Version: 1.9rc202411012347 (2024-11-01 23:47:45 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 0x00000001fa6d8f40 (most recent call first):
  File ""/Applications/ChimeraX-1.9-rc2024.11.01.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 330 in event_loop
  File ""/Applications/ChimeraX-1.9-rc2024.11.01.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1054 in init
  File ""/Applications/ChimeraX-1.9-rc2024.11.01.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1217 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.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.surface._surface, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw (total: 61)


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===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9rc202411012347 (2024-11-01)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""/Users/jxs/Desktop/bingding pocket/binding pocket.cxs"" format session

opened ChimeraX session  

> hide #!2 models

> open /Users/jxs/Desktop/ratTAAR9-apo_Rf031.pdb

Chain information for ratTAAR9-apo_Rf031.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
R | No description available  
S | No description available  
  

> show #!1,5 cartoons

> show #!1,5 atoms

> hide #!1,5 atoms

> hide #!5 models

> hide #!1 models

> show #!1 models

> undo

> hide #!5 models

> ui tool show ""Side View""

> hide #!2 models

> hide #!1 models

> show #!5 models

> hide #!5 atoms

> show #!5 cartoons

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> open /Users/jxs/Desktop/ratTAAR9-AEP_Rf023.pdb

Chain information for ratTAAR9-AEP_Rf023.pdb #6  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
R | No description available  
  

> hide #!6 models

> show #!6 models

> hide #!5 models

> open /Users/jxs/Desktop/ratTAAR9-DMCHA_Rf018.pdb

Chain information for ratTAAR9-DMCHA_Rf018.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
R | No description available  
S | No description available  
  

> hide #!6-7 atoms

> show #!6-7 cartoons

> hide #!6 models

> show #!1 models

> hide #!7 models

> show #!5 models

> select add #1

2326 atoms, 2397 bonds, 1 pseudobond, 290 residues, 2 models selected  

> select subtract #1

1 model selected  

> ui tool show Matchmaker

> matchmaker #!1 to #5

Computing secondary structure  
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 ratTAAR9-apo_Rf031.pdb, chain R (#5) with ratTAAR9-MPD_Rf025.pdb,
chain R (#1), sequence alignment score = 1462.2  
RMSD between 258 pruned atom pairs is 0.953 angstroms; (across all 288 pairs:
1.452)  
  

> ui tool show Matchmaker

> matchmaker #!6 to #5

Computing secondary structure  
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 ratTAAR9-apo_Rf031.pdb, chain B (#5) with ratTAAR9-AEP_Rf023.pdb,
chain B (#6), sequence alignment score = 1700.5  
RMSD between 337 pruned atom pairs is 0.557 angstroms; (across all 338 pairs:
0.571)  
  

> show #!6 models

> hide #!1 models

> ui tool show Matchmaker

> matchmaker #!7 to #5

Computing secondary structure  
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 ratTAAR9-apo_Rf031.pdb, chain B (#5) with ratTAAR9-DMCHA_Rf018.pdb,
chain B (#7), sequence alignment score = 1717.3  
RMSD between 335 pruned atom pairs is 0.937 angstroms; (across all 338 pairs:
0.979)  
  

> show #!1 models

> show #!7 models

> hide #!1 models

> hide #!5 models

> hide #!6 models

> show #!5 models

> hide #!7 models

> transparency 60 cartoons

> show #!6 models

> transparency 60 cartoons

> show #!7 models

> transparency 60 cartoons

> hide #!6 models

> hide #!7 models

> show #!1 models

> transparency 60 cartoons

> cartoon style width 12

> hide #!5 models

> cartoon style width 2

> cartoon style width 1

> cartoon style width 0.5

> show #!3 models

> hide #!3 models

> show #!4 models

> hide #!4 models

> show #!5 models

> hide #!5 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #1/R:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color (#!1 & sel) byhetero

> select #1/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #1/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> select #1/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color (#!1 & sel) byhetero

> select clear

> color sel byelement

> color sel byhetero

> select clear

> select #1/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select clear

> select #1/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #1/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) byhetero

> select clear

> hide #!1 models

> show #!5 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #5/R

Alignment identifier is 5/R  

> hide #!5 models

> show #!6 models

> hide #!6 models

> show #!5 models

> show #!6 models

> hide #!6 models

> show #!7 models

> hide #!7 models

> hide #!5 models

> show #!2 models

> show #!1 models

> hide #!2 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!1 models

> hide #!6 models

> show #!5 models

> select #5/R:102

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/R:102-103

15 atoms, 14 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 15 atom styles  

> color sel byhetero

> select #5/R:106

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/R:106-107

17 atoms, 17 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 17 atom styles  

> color sel byhetero

> select #5/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #5/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> color sel byhetero

> select #5/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #5/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color sel byhetero

> select #5/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #5/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color sel byhetero

> select #5/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #5/R:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #5/R:290-291

19 atoms, 19 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 19 atom styles  

> color sel byhetero

> select clear

> hide #!5 models

> show #!6 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #6/R

Alignment identifier is 6/R  

> select #6/R:102

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #6/R:102-103

15 atoms, 14 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 15 atom styles  

> select #6/R:106

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #6/R:106-107

17 atoms, 17 bonds, 2 residues, 1 model selected  

> show sel atoms

> select #6/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #6/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #6/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #6/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #6/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #6/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #6/R:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #6/R:290-291

19 atoms, 19 bonds, 2 residues, 1 model selected  

> show sel atoms

> select #6/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #6/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide #!6 models

> show #!7 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #7/R

Alignment identifier is 7/R  

> select #7/R:102

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #7/R:102-103

15 atoms, 14 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 15 atom styles  

> color sel byhetero

> select #7/R:106

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #7/R:106-107

17 atoms, 17 bonds, 2 residues, 1 model selected  

> style sel stick

Changed 17 atom styles  

> show sel atoms

> color sel byhetero

> select #7/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #7/R:192

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 6 atom styles  

> color sel byhetero

> select
> #7/R:24-49,56-74,76-84,92-125,130-133,136-159,186-222,235-271,280-303,306-316

1811 atoms, 1855 bonds, 225 residues, 1 model selected  

> select clear

> select #7/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #7/R:287

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 7 atom styles  

> color sel byhetero

> select #7/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:283

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color sel byhetero

> select #7/R:290

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #7/R:290-291

19 atoms, 19 bonds, 2 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 19 atom styles  

> color sel byhetero

> select #7/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #7/R:264

12 atoms, 12 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 12 atom styles  

> color sel byhetero

> select #7/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #7/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> color sel byhetero

> hide #!7 models

> show #!6 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #6/R

Alignment identifier is 6/R  

> select #6/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #6/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide #!6 models

> show #!5 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #5/R

Alignment identifier is 5/R  

> select #5/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #5/R:261

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 14 atom styles  

> color sel byhetero

> hide #!5 models

> show #!1 models

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/R

Alignment identifier is 1/R  

> select #1/R:307

14 atoms, 15 bonds, 1 residue, 1 model selected  

> select #1/R:307

14 atoms, 15 bonds, 1 residue, 1 model selected  

> show sel cartoons

> show sel atoms

> style sel stick

Changed 14 atom styles  

> color (#!1 & sel) byhetero

> hide #!1 models

> show #!5 models

> select ::name=""8IA""

18 atoms, 18 bonds, 2 residues, 2 models selected  

> show #!5 atoms

> hide #!5 atoms

> undo

> hide #!5 models

> show #!1 models

> hide #!1 models

> show #!6 models

> select ::name=""PEA""

9 atoms, 9 bonds, 1 residue, 1 model selected  

> show #6 target ab

> undo

> select ::name=""LIG""

16 atoms, 16 bonds, 2 residues, 2 models selected  

> style sel & #!6 stick

Changed 9 atom styles  

> style sel & #!6 stick

Changed 9 atom styles  

> style sel & #!6 stick

Changed 9 atom styles  

> hide #!6 models

> show #!7 models

> select ::name=""LIG""

16 atoms, 16 bonds, 2 residues, 2 models selected  

> select ::name=""LIG""

16 atoms, 16 bonds, 2 residues, 2 models selected  

> show #7 target ab

> undo

> select add #7

9044 atoms, 9248 bonds, 1 pseudobond, 1145 residues, 4 models selected  

> select subtract #7

16 atoms, 16 bonds, 2 residues, 2 models selected  

> select add #7

9044 atoms, 9248 bonds, 1 pseudobond, 1145 residues, 4 models selected  

> select subtract #7

16 atoms, 16 bonds, 2 residues, 2 models selected  

> select add #7

9044 atoms, 9248 bonds, 1 pseudobond, 1145 residues, 4 models selected  

> select subtract #7

16 atoms, 16 bonds, 2 residues, 2 models selected  

> show #!6 models

> show #!5 models

> show #!1 models

> select add #5

9032 atoms, 9237 bonds, 1 pseudobond, 1144 residues, 4 models selected  

> select subtract #5

16 atoms, 16 bonds, 2 residues, 2 models selected  

> select add #6

7295 atoms, 7456 bonds, 1 pseudobond, 918 residues, 3 models selected  

> select subtract #6

7 atoms, 7 bonds, 1 residue, 1 model selected  

> hide #!1 models

> hide #!5 models

> hide #!6 models

> select ::name=""LIG""

16 atoms, 16 bonds, 2 residues, 2 models selected  

> show #!7 atoms

> hide #!7 atoms

> undo

> select ::name=""8IA""

18 atoms, 18 bonds, 2 residues, 2 models selected  

> show sel & #!7 atoms

> select add #3

2028 atoms, 2089 bonds, 2 pseudobonds, 264 residues, 3 models selected  

> select subtract #3

9 atoms, 9 bonds, 1 residue, 2 models selected  

> hide #!7 models

> show #!7 models

> show #!3 models

> hide #!3 models

> hide #!7 models

> show #!6 models

> select ::name=""LIG""

16 atoms, 16 bonds, 2 residues, 2 models selected  

> show sel & #!6 atoms

> select clear

> show #!5 models

> ui tool show ""Side View""

> hide #!5 models

> hide #!6 models

> show #!5 models

> open /Users/jxs/Desktop/mpd/mpd-pdb.py

ChimeraX cannot open a regular Chimera session. An exporter from Chimera to  
ChimeraX is available in the latest Chimera release. Use its File->Export
Scene  
menu item, and change the resulting dialog's ""File Type"" to ChimeraX.  

> open /Users/jxs/Desktop/ratTAAR9-MPD_Rf025.pdb

Chain information for ratTAAR9-MPD_Rf025.pdb #8  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
R | No description available  
S | No description available  
  

> hide #!5,8 atoms

> show #!5,8 cartoons

> cartoon style width 0.5

> undo

> hide #!5 models

> hide #!8 atoms

> show #!8 cartoons

> cartoon style width 0.5

> select ::name=""8IA""

18 atoms, 18 bonds, 2 residues, 2 models selected  

> show #!8 atoms

> hide #!8 atoms

> show #!7 models

> hide #!7 models

> show #!6 models

> hide #!8 models

> show #!8 models

> hide #!6 models

> select ::name=""HOH""

1 atom, 1 residue, 1 model selected  

> show #!8 atoms

> undo

> select ::name=""DRG""

7 atoms, 7 bonds, 1 residue, 1 model selected  

> show #!8 atoms

> undo

> select ::name=""Y01""

35 atoms, 38 bonds, 1 residue, 1 model selected  

> show #!8 atoms

> undo

> select add #3

2019 atoms, 2080 bonds, 2 pseudobonds, 263 residues, 2 models selected  

> select subtract #3

1 model selected  

> show #!1 models

> hide #!1 models

> select ::name=""LIG""

23 atoms, 23 bonds, 3 residues, 3 models selected  

> show sel & #!8 atoms

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/R #8/R

Alignment identifier is 1  

> select #1/R:102 #8/R:102

16 atoms, 14 bonds, 2 residues, 2 models selected  

> select #1/R:102-103 #8/R:102-103

30 atoms, 28 bonds, 4 residues, 2 models selected  
1 [ID: 1] region 2 chains [84-85] RMSD: 5.175  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 15 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:106 #8/R:106

12 atoms, 10 bonds, 2 residues, 2 models selected  

> select #1/R:106-107 #8/R:106-107

34 atoms, 34 bonds, 4 residues, 2 models selected  
1 [ID: 1] region 2 chains [88-89] RMSD: 3.908  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 17 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:192 #8/R:192

12 atoms, 10 bonds, 2 residues, 2 models selected  

> select #1/R:192 #8/R:192

12 atoms, 10 bonds, 2 residues, 2 models selected  
1 [ID: 1] region 2 chains [152] RMSD: 2.397  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 6 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:261 #8/R:261

28 atoms, 30 bonds, 2 residues, 2 models selected  

> select #1/R:261 #8/R:261

28 atoms, 30 bonds, 2 residues, 2 models selected  
1 [ID: 1] region 2 chains [221] RMSD: 2.632  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 14 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:264 #8/R:264

24 atoms, 24 bonds, 2 residues, 2 models selected  

> select #1/R:264 #8/R:264

24 atoms, 24 bonds, 2 residues, 2 models selected  
1 [ID: 1] region 2 chains [224] RMSD: 2.592  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 12 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:283 #8/R:283

24 atoms, 24 bonds, 2 residues, 2 models selected  

> select #1/R:283 #8/R:283

24 atoms, 24 bonds, 2 residues, 2 models selected  
1 [ID: 1] region 2 chains [243] RMSD: 4.177  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 12 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:287 #8/R:287

14 atoms, 12 bonds, 2 residues, 2 models selected  

> select #1/R:287 #8/R:287

14 atoms, 12 bonds, 2 residues, 2 models selected  
1 [ID: 1] region 2 chains [247] RMSD: 4.661  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 7 atom styles  

> color (#!8 & sel) byhetero

> select #1/R:290 #8/R:290

14 atoms, 12 bonds, 2 residues, 2 models selected  

> select #1/R:290-291 #8/R:290-291

38 atoms, 38 bonds, 4 residues, 2 models selected  
1 [ID: 1] region 2 chains [250-251] RMSD: 4.546  
  

> show sel & #!8 atoms

> style sel & #!8 stick

Changed 19 atom styles  

> color (#!8 & sel) byhetero

> select clear

> save ""/Users/jxs/Desktop/binding pocket.cxs""

> open ""/Users/jxs/Desktop/binding pocket.cxs""

opened ChimeraX session  

> save ""/Users/jxs/Desktop/binding pocket.cxs""

> open ""/Users/jxs/Desktop/binding pocket.cxs""

opened ChimeraX session  

> open ""/Users/jxs/Desktop/binding pocket.cxs""

opened ChimeraX session  

> select #5/A#6/A#7/A#8/A

7712 atoms, 7856 bonds, 932 residues, 4 models selected  

> delete atoms (#!8 & sel)

> delete bonds (#!8 & sel)

> select #5/B#6/B#7/B#8/B

10400 atoms, 10588 bonds, 1352 residues, 4 models selected  

> delete atoms (#!8 & sel)

> delete bonds (#!8 & sel)

> select #5/C#6/C#7/C#8/C

1700 atoms, 1724 bonds, 220 residues, 4 models selected  

> delete atoms (#!8 & sel)

> delete bonds (#!8 & sel)

> select #5/S#7/S#8/S

5262 atoms, 5397 bonds, 684 residues, 3 models selected  

> delete atoms (#!8 & sel)

> delete bonds (#!8 & sel)

> save ""/Users/jxs/Desktop/binding pocket-2.cxs""


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9rc202411012347 (2024-11-01)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 88.1
OpenGL renderer: Apple M3
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac15,12
      Model Number: MXCR3CH/A
      Chip: Apple M3
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.140.19
      OS Loader Version: 10151.140.19

Software:

    System Software Overview:

      System Version: macOS 14.6 (23G80)
      Kernel Version: Darwin 23.6.0
      Time since boot: 15天20小时53分钟

Graphics/Displays:

    Apple M3:

      Chipset Model: Apple M3
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 10
      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


Installed Packages:
    alabaster: 1.0.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    auditwheel: 6.1.0
    babel: 2.16.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.7.1
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.7
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.7
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9rc202411012347
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.5
    ChimeraX-DistMonitor: 1.4.2
    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: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2
    ChimeraX-Label: 1.1.11
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    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: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.17
    ChimeraX-ModelPanel: 1.5
    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-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: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    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: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    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-Segmentations: 3.2.4
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    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: 1.18.1
    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
    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: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    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: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.0
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.7
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.54.1
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.12.1
    html2text: 2024.2.26
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.1
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.1
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    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
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tornado: 6.4.1
    traitlets: 5.14.3
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
