﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
15803	Crash in garbage collection	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-13.6-x86_64-i386-64bit
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

Current thread 0x00007ff8505f0700 (most recent call first):
  Garbage-collecting
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 161 in 
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 161 in __iter__
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/hbond.py"", line 806 in _find_acceptors
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/hbond.py"", line 498 in find_hbonds
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/cmd.py"", line 94 in cmd_hbonds
  File ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py"", line 2908 in run
  File ""/Users/john.bruce/myApps/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 ""/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/hbonds/tool.py"", line 52 in run_hbonds
  File ""/Users/john.bruce/myApps/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 ""/Users/john.bruce/myApps/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 ""/Users/john.bruce/myApps/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, PIL._imagingmath, lxml._elementpath, lxml.etree, lxml.builder, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp, chimerax.mlp._mlp (total: 60)


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===== Log before crash start =====
Startup Messages  
---  
warnings | Replacing fetcher for 'ngff' and format OME-Zarr from OME-Zarr
bundle with that from OME-Zarr bundle  
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/john.bruce/Desktop/xtal432-p1-250ns dc1.dsv""

Unrecognized file suffix '.dsv'  

> open /Users/john.bruce/Desktop/xtal432-p1-250ns-pdb.pdb

Summary of feedback from opening /Users/john.bruce/Desktop/xtal432-p1-250ns-
pdb.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK Accelrys Discovery Studio PDB file  
  
Ignored bad PDB record found on line 2  
REMARK Created: 2023-02-27T22:57:05Z  
  
Chain information for xtal432-p1-250ns-pdb.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select /B:201-277

1236 atoms, 1242 bonds, 77 residues, 1 model selected  

> select /C:278-344

1048 atoms, 1054 bonds, 4 pseudobonds, 67 residues, 2 models selected  

> select clear

> select add #1.2

4 pseudobonds, 1 model selected  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> hide B

> hide C

> hide /C

> hide /B

> select clear

> close session

> open /Users/john.bruce/Desktop/2cyz.pdb format pdb

No such file/path: /Users/john.bruce/Desktop/2cyz.pdb  

> open /Users/john.bruce/Desktop/xtal432-p1-250ns-pdb.pdb

Summary of feedback from opening /Users/john.bruce/Desktop/xtal432-p1-250ns-
pdb.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK Accelrys Discovery Studio PDB file  
  
Ignored bad PDB record found on line 2  
REMARK Created: 2023-02-27T22:57:05Z  
  
Chain information for xtal432-p1-250ns-pdb.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> help help:user

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select clear

> select LIG 347

Expected an objects specifier or a keyword  

> select LIGAND

Expected an objects specifier or a keyword  

> select LIG

Expected an objects specifier or a keyword  

> select :LIG

44 atoms, 46 bonds, 1 residue, 1 model selected  

> hide :C

> hide protein

> show protein

> hide protein

> select /B

1236 atoms, 1242 bonds, 77 residues, 1 model selected  

> select /C

1050 atoms, 1054 bonds, 12 pseudobonds, 69 residues, 3 models selected  

> hide sel cartoons

> hide solvent

> hide ion

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide /C ZN

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide ZN

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide ZN1

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide /C ZN1

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> coulombic protein

Using Amber 20 recommended default charges and atom types for standard
residues  
Assigning partial charges to residue CY1 (net charge +0) with am1-bcc method  
Running ANTECHAMBER command:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmp8hmxonjm/ante.in.mol2 -fi
mol2 -o
/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmp8hmxonjm/ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n  
(CY1) ``  
(CY1) `Welcome to antechamber 20.0: molecular input file processor.`  
(CY1) ``  
(CY1) `Info: Finished reading file
(/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmp8hmxonjm/ante.in.mol2);
atoms read (23), bonds read (22).`  
(CY1) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/bondtype
-j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(CY1) ``  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/atomtype
-i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(CY1) `Info: Total number of electrons: 94; net charge: 0`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/sqm -O -i
sqm.in -o sqm.out`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/am1bcc -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT
-s 2 -j 1`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/atomtype
-f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(CY1) ``  
Charges for residue CY1 determined  
Coulombic values for xtal432-p1-250ns-pdb.pdb_A SES surface #1.3: minimum,
-14.70, mean -0.21, maximum 15.36  
Coulombic values for xtal432-p1-250ns-pdb.pdb_B SES surface #1.4: minimum,
-12.68, mean 0.42, maximum 16.32  
Coulombic values for xtal432-p1-250ns-pdb.pdb_C SES surface #1.5: minimum,
-11.28, mean 1.59, maximum 14.21  

> coulombic protein key true

Coulombic values for xtal432-p1-250ns-pdb.pdb_A SES surface #1.3: minimum,
-14.70, mean -0.21, maximum 15.36  
Coulombic values for xtal432-p1-250ns-pdb.pdb_B SES surface #1.4: minimum,
-12.68, mean 0.42, maximum 16.32  
Coulombic values for xtal432-p1-250ns-pdb.pdb_C SES surface #1.5: minimum,
-11.28, mean 1.59, maximum 14.21  

> key red-white-blue :-10 :0 :10 showTool true

> ui mousemode right ""color key""

> ui mousemode right translate

> 2dlabels text ""electrostatic potential""

> ui mousemode right ""move label""

> 2dlabels #3.1 xpos 0.704 ypos 0.621

> 2dlabels #3.1 xpos 0.774 ypos 0.946

> ui mousemode right ""color key""

> ui mousemode right ""move label""

> select subtract #1.5

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.5

1050 atoms, 44 bonds, 4 pseudobonds, 69 residues, 2 models selected  

> select subtract #1.5

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.4

1285 atoms, 44 bonds, 4 pseudobonds, 83 residues, 2 models selected  

> select subtract #1.4

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.4

1285 atoms, 44 bonds, 4 pseudobonds, 83 residues, 2 models selected  

> select subtract #1.4

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.3

3202 atoms, 44 bonds, 4 pseudobonds, 206 residues, 2 models selected  

> select subtract #1.3

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.3

3202 atoms, 44 bonds, 4 pseudobonds, 206 residues, 2 models selected  

> select subtract #1.3

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> select add #1.5

1050 atoms, 44 bonds, 4 pseudobonds, 69 residues, 2 models selected  

> select subtract #1.5

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> hide /C

> select add #1.5

1050 atoms, 44 bonds, 4 pseudobonds, 69 residues, 2 models selected  

> select subtract #1.5

49 atoms, 44 bonds, 4 pseudobonds, 6 residues, 3 models selected  

> close session

> open /Users/john.bruce/Desktop/xtal432-p1-250ns-pdb.pdb

Summary of feedback from opening /Users/john.bruce/Desktop/xtal432-p1-250ns-
pdb.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK Accelrys Discovery Studio PDB file  
  
Ignored bad PDB record found on line 2  
REMARK Created: 2023-02-27T22:57:05Z  
  
Chain information for xtal432-p1-250ns-pdb.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> hide #1.1 models

> show #1.1 models

> hide #1.2 models

> show #1.2 models

> select add #1.2

4 pseudobonds, 1 model selected  

> select subtract #1.2

Nothing selected  

> select add #1.2

4 pseudobonds, 1 model selected  

> select subtract #1.2

Nothing selected  

> select add #1.1

8 pseudobonds, 1 model selected  

> hide #1.1 models

> select subtract #1.1

Nothing selected  

> select add #1

5513 atoms, 5549 bonds, 12 pseudobonds, 357 residues, 3 models selected  

> select subtract #1

Nothing selected  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select /B:201-277

1236 atoms, 1242 bonds, 77 residues, 1 model selected  

> select /B:201-277

1236 atoms, 1242 bonds, 77 residues, 1 model selected  

> select /C:278-344

1048 atoms, 1054 bonds, 4 pseudobonds, 67 residues, 2 models selected  

> select /C:278-344

1048 atoms, 1054 bonds, 4 pseudobonds, 67 residues, 2 models selected  

> hide sel cartoons

> hide sel atoms

> show #1.1 models

> hide #1.1 models

> select ::name=""ZN1""

1 atom, 1 residue, 1 model selected  

> hide sel cartoons

> hide sel atoms

> select ::name=""ZN2""

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> mlp

Map values for surface ""xtal432-p1-250ns-pdb.pdb_A SES surface"": minimum
-24.64, mean -3.092, maximum 23.18  
Map values for surface ""xtal432-p1-250ns-pdb.pdb_B SES surface"": minimum
-25.04, mean -4.881, maximum 21.82  
Map values for surface ""xtal432-p1-250ns-pdb.pdb_C SES surface"": minimum
-23.48, mean 2.415e+05, maximum 1.377e+07  

> hide solvent

> surface zone #1 nearAtoms :LIG distance 8 maxComponents 1

> hide ~:LIG target ar

> hide #1.5 models

> show #1.5 models

> hide #1.4 models

> show #1.4 models

> hide #1.3 models

> show #1.3 models

> select clear

> hide #1.4 models

> style stick

Changed 5513 atom styles  

> style stick

Changed 5513 atom styles  

> style ball

Changed 5513 atom styles  

> style ball

Changed 5513 atom styles  

> style ball

Changed 5513 atom styles  

> style sphere

Changed 5513 atom styles  

> style sphere

Changed 5513 atom styles  

> style ball

Changed 5513 atom styles  

> style stick

Changed 5513 atom styles  

> show atoms

> hide atoms

> show :LIG

> clip

> show #1.4 models

> hide #1.4 models

> show #1.4 models

> hide #1.4 models

> select add #1.5

1001 atoms, 63 residues, 1 model selected  

> select subtract #1.5

1 model selected  

> select add #1.4

1236 atoms, 77 residues, 1 model selected  

> select subtract #1.4

1 model selected  

> clip model #! off

Missing or invalid ""models"" argument: invalid models specifier  

> hide ~:LIG

> ui tool show ""Side View""

> ui mousemode right clip

> ui mousemode right ""clip rotate""

> ui mousemode right zone

> mlp protein surfaces #1.1.1

Map values for surface ""xtal432-p1-250ns-pdb.pdb_A SES surface"": minimum
-24.64, mean -3.092, maximum 23.18  
Map values for surface ""xtal432-p1-250ns-pdb.pdb_B SES surface"": minimum
-25.04, mean -4.881, maximum 21.82  
Map values for surface ""xtal432-p1-250ns-pdb.pdb_C SES surface"": minimum
-23.48, mean 1.598e+05, maximum 8.728e+06  

> hide #1.4 models

> transparency #1.1.1 30

> coulombic protein

Using Amber 20 recommended default charges and atom types for standard
residues  
Assigning partial charges to residue CY1 (net charge +0) with am1-bcc method  
Running ANTECHAMBER command:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmpunvlfqj6/ante.in.mol2 -fi
mol2 -o
/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmpunvlfqj6/ante.out.mol2 -fo
mol2 -c bcc -nc 0 -j 5 -s 2 -dr n  
(CY1) ``  
(CY1) `Welcome to antechamber 20.0: molecular input file processor.`  
(CY1) ``  
(CY1) `Info: Finished reading file
(/var/folders/p8/rh_vqxyd7pl5f74649t7pxxxdxfxh5/T/tmpunvlfqj6/ante.in.mol2);
atoms read (23), bonds read (22).`  
(CY1) `Info: Determining atomic numbers from atomic symbols which are case
sensitive.`  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/bondtype
-j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac`  
(CY1) ``  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/atomtype
-i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff`  
(CY1) `Info: Total number of electrons: 94; net charge: 0`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/sqm -O -i
sqm.in -o sqm.out`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/am1bcc -i
ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT
-s 2 -j 1`  
(CY1) ``  
(CY1) `Running:
/Users/john.bruce/myApps/ChimeraX-1.7.1.app/Contents/bin/amber20/bin/atomtype
-f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC`  
(CY1) ``  
Charges for residue CY1 determined  
Coulombic values for xtal432-p1-250ns-pdb.pdb_A SES surface #1.3: minimum,
-14.70, mean -0.21, maximum 15.36  
Coulombic values for xtal432-p1-250ns-pdb.pdb_B SES surface #1.4: minimum,
-12.68, mean 0.42, maximum 16.32  
Coulombic values for xtal432-p1-250ns-pdb.pdb_C SES surface #1.5: minimum,
-11.28, mean 1.59, maximum 14.21  

> coulombic protein

Coulombic values for xtal432-p1-250ns-pdb.pdb_A SES surface #1.3: minimum,
-14.70, mean -0.21, maximum 15.36  
Coulombic values for xtal432-p1-250ns-pdb.pdb_B SES surface #1.4: minimum,
-12.68, mean 0.42, maximum 16.32  
Coulombic values for xtal432-p1-250ns-pdb.pdb_C SES surface #1.5: minimum,
-11.28, mean 1.59, maximum 14.21  

> hide #1.4 models

> hbonds :LIG reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 xtal432-p1-250ns-pdb.pdb
    
    3 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    /? LIG 347 N1  /? WAT 348 O   /? LIG 347 HN1  3.089  2.153
    /? WAT 354 O   /? LIG 347 O3  /? WAT 354 H1   3.026  2.093
    /A GLN 26 NE2  /? LIG 347 O4  /A GLN 26 1HE2  3.132  2.249
    

  
3 hydrogen bonds found  

> close session

> open /Users/john.bruce/Desktop/xtal432-p1-250ns-pdb.pdb

Summary of feedback from opening /Users/john.bruce/Desktop/xtal432-p1-250ns-
pdb.pdb  
---  
warnings | Ignored bad PDB record found on line 1  
REMARK Accelrys Discovery Studio PDB file  
  
Ignored bad PDB record found on line 2  
REMARK Created: 2023-02-27T22:57:05Z  
  
Chain information for xtal432-p1-250ns-pdb.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select /B:201-277

1236 atoms, 1242 bonds, 77 residues, 1 model selected  

> select /C:278-344

1048 atoms, 1054 bonds, 4 pseudobonds, 67 residues, 2 models selected  

> hide /C

> select clear

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select /A:1-200

3153 atoms, 3187 bonds, 200 residues, 1 model selected  

> select add #1

5513 atoms, 5549 bonds, 12 pseudobonds, 357 residues, 3 models selected  

> select subtract #1

Nothing selected  

> select add #1.2

4 pseudobonds, 1 model selected  

> select subtract #1.2

Nothing selected  

> select add #1.1

8 pseudobonds, 1 model selected  

> view sel

No displayed objects specified.  

> select /C

1050 atoms, 1054 bonds, 12 pseudobonds, 69 residues, 3 models selected  

> hide sel cartoons

> ui tool show H-Bonds

> select :LIG

44 atoms, 46 bonds, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel reveal true log true


===== Log before crash end =====

Log:
Startup Messages  
---  
warnings | Replacing fetcher for 'ngff' and format OME-Zarr from OME-Zarr
bundle with that from OME-Zarr bundle  
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 ATI-4.14.1
OpenGL renderer: AMD Radeon Pro 5300M OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

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: MacBookPro16,1
      Processor Name: 6-Core Intel Core i7
      Processor Speed: 2.6 GHz
      Number of Processors: 1
      Total Number of Cores: 6
      L2 Cache (per Core): 256 KB
      L3 Cache: 12 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 2020.0.1.0.0 (iBridge: 21.16.365.0.0,0)
      OS Loader Version: 577.140.2~15

Software:

    System Software Overview:

      System Version: macOS 13.6 (22G120)
      Kernel Version: Darwin 22.6.0
      Time since boot: 12 days, 3 hours, 37 minutes

Graphics/Displays:

    Intel UHD Graphics 630:

      Chipset Model: Intel UHD Graphics 630
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3e9b
      Revision ID: 0x0000
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 3

    AMD Radeon Pro 5300M:

      Chipset Model: AMD Radeon Pro 5300M
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 4 GB
      Vendor: AMD (0x1002)
      Device ID: 0x7340
      Revision ID: 0x0043
      ROM Revision: 113-D3220E-190
      VBIOS Version: 113-D32207P1-020
      Option ROM Version: 113-D32207P1-020
      EFI Driver Version: 01.A1.190
      Automatic Graphics Switching: Supported
      gMux Version: 5.0.0
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 3072 x 1920 Retina
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        G276HL:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: LW9AA0048524
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: DVI or HDMI
          Adapter Firmware Version: 0.00
        G277HL:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: T2NAA0018523
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: DVI or HDMI
          Adapter Firmware Version:  b.1d


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
