﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
15145	Crash in garbage collection	carlton.petermark.3v@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-12.7.1-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

Thread 0x00007000148f1000 (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 0x0000000112a8e600 (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/coulombic/coulombic.py"", line 171 in check_residues
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/coulombic/coulombic.py"", line 41 in assign_charges
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/coulombic/cmd.py"", line 99 in cmd_coulombic
  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 2908 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/shortcuts/shortcuts.py"", line 525 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 582 in run_expanded_command
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 72 in func_plus_tip
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 339 in run
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 420 in run_shortcut
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 402 in try_shortcut
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/shortcuts.py"", line 1376 in run_provider
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/shortcuts/__init__.py"", line 66 in run_provider
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/toolshed/__init__.py"", line 1302 in run_provider
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/toolshed/info.py"", line 397 in run_provider
  File ""/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/toolbar/tool.py"", line 205 in callback
  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.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.pdb._pdbio, PIL._imagingmath, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp (total: 56)


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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/pcarlton/Downloads/fold_2024_05_09_10_36phosdsb_1_wdna/fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif

Chain information for fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif #1  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
  

> hide atoms

> show cartoons

> lighting shadows false

> lighting simple

> set bgColor white

> set bgColor black

> select /F:110

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

455 atoms, 455 bonds, 55 residues, 1 model selected  

> select add /E:111

464 atoms, 463 bonds, 56 residues, 1 model selected  

> select up

910 atoms, 910 bonds, 110 residues, 1 model selected  
Alignment identifier is 1  

> select clear

> select /E:118

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add /F:107

20 atoms, 18 bonds, 2 residues, 1 model selected  

> select up

910 atoms, 910 bonds, 110 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #f500e7 radius 0.2 dashes 0 interModel false intraRes false
> select true reveal true log true
    
    
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif
    
    137 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    /A TYR 307 OH   /F GLU 93 OE1   no hydrogen  2.053  N/A
    /B TYR 307 OH   /E GLU 93 OE1   no hydrogen  2.028  N/A
    /B ARG 311 NH2  /E GLU 93 OE1   no hydrogen  2.849  N/A
    /E CYS 83 SG    /F GLY 234 O    no hydrogen  3.632  N/A
    /E SER 84 OG    /F ASP 9 OD1    no hydrogen  2.613  N/A
    /E SER 84 OG    /F ASP 9 OD2    no hydrogen  3.450  N/A
    /E ARG 86 NE    /B ASP 304 OD1  no hydrogen  3.226  N/A
    /E ARG 86 NH2   /B SEP 199 O    no hydrogen  2.486  N/A
    /E LEU 87 N     /E CYS 83 O     no hydrogen  2.947  N/A
    /E ALA 88 N     /E SER 84 O     no hydrogen  3.023  N/A
    /E VAL 89 N     /E MET 85 O     no hydrogen  3.084  N/A
    /E LEU 90 N     /E ARG 86 O     no hydrogen  3.039  N/A
    /E GLU 91 N     /E LEU 87 O     no hydrogen  2.923  N/A
    /E ILE 92 N     /E ALA 88 O     no hydrogen  3.051  N/A
    /E GLU 93 N     /E VAL 89 O     no hydrogen  3.095  N/A
    /E ARG 94 N     /E LEU 90 O     no hydrogen  2.920  N/A
    /E ARG 94 NH1   /B SEP 204 O3P  no hydrogen  3.097  N/A
    /E ARG 94 NH2   /B SEP 204 O3P  no hydrogen  2.521  N/A
    /E ARG 94 NH2   /B SEP 209 O2P  no hydrogen  3.374  N/A
    /E GLN 95 N     /E GLU 91 O     no hydrogen  2.887  N/A
    /E GLU 96 N     /E ILE 92 O     no hydrogen  2.920  N/A
    /E THR 97 N     /E GLU 93 O     no hydrogen  2.907  N/A
    /E THR 97 OG1   /E GLU 93 O     no hydrogen  2.672  N/A
    /E ALA 98 N     /E ARG 94 O     no hydrogen  2.825  N/A
    /E MET 99 N     /E GLN 95 O     no hydrogen  2.809  N/A
    /E LYS 100 N    /E GLU 96 O     no hydrogen  2.968  N/A
    /E LYS 101 N    /E THR 97 O     no hydrogen  3.008  N/A
    /E LYS 102 N    /E ALA 98 O     no hydrogen  2.788  N/A
    /E GLU 103 N    /E MET 99 O     no hydrogen  2.958  N/A
    /E GLU 104 N    /E LYS 100 O    no hydrogen  2.989  N/A
    /E SER 105 N    /E LYS 101 O    no hydrogen  2.814  N/A
    /E LYS 106 N    /E LYS 102 O    no hydrogen  2.751  N/A
    /E ARG 107 N    /E GLU 103 O    no hydrogen  2.934  N/A
    /E GLN 108 N    /E GLU 104 O    no hydrogen  2.779  N/A
    /E LYS 109 N    /E SER 105 O    no hydrogen  2.646  N/A
    /E ILE 110 N    /E LYS 106 O    no hydrogen  3.171  N/A
    /E LYS 111 N    /E ARG 107 O    no hydrogen  3.385  N/A
    /E LYS 112 N    /E GLN 108 O    no hydrogen  2.721  N/A
    /E LYS 112 NZ   /E GLN 108 OE1  no hydrogen  2.774  N/A
    /E THR 113 N    /E LYS 109 O    no hydrogen  2.763  N/A
    /E THR 113 N    /E ILE 110 O    no hydrogen  3.292  N/A
    /E THR 113 OG1  /E LYS 109 O    no hydrogen  2.528  N/A
    /E GLU 115 N    /E LYS 111 O    no hydrogen  3.151  N/A
    /E ARG 116 N    /E LYS 112 O    no hydrogen  2.711  N/A
    /E LYS 117 N    /E THR 113 O    no hydrogen  3.112  N/A
    /E LYS 118 N    /E LYS 114 O    no hydrogen  3.262  N/A
    /E HIS 119 N    /E GLU 115 O    no hydrogen  2.812  N/A
    /E ALA 120 N    /E ARG 116 O    no hydrogen  2.701  N/A
    /E ILE 121 N    /E LYS 117 O    no hydrogen  3.050  N/A
    /E GLN 122 N    /E LYS 118 O    no hydrogen  3.036  N/A
    /E ALA 123 N    /E HIS 119 O    no hydrogen  2.752  N/A
    /E ALA 124 N    /E ALA 120 O    no hydrogen  2.859  N/A
    /E LYS 125 N    /E ILE 121 O    no hydrogen  3.058  N/A
    /E THR 126 N    /E GLN 122 O    no hydrogen  2.888  N/A
    /E THR 126 OG1  /E GLN 122 O    no hydrogen  2.973  N/A
    /E ARG 127 N    /E ALA 123 O    no hydrogen  2.813  N/A
    /E LYS 128 N    /E ALA 124 O    no hydrogen  2.890  N/A
    /E GLN 129 N    /E LYS 125 O    no hydrogen  2.916  N/A
    /E ARG 130 N    /E THR 126 O    no hydrogen  2.823  N/A
    /E ASN 131 N    /E ARG 127 O    no hydrogen  2.905  N/A
    /E ASN 131 ND2  /H DC 10 OP2    no hydrogen  2.719  N/A
    /E GLU 132 N    /E LYS 128 O    no hydrogen  2.908  N/A
    /E ILE 133 N    /E GLN 129 O    no hydrogen  2.853  N/A
    /E GLU 134 N    /E ARG 130 O    no hydrogen  2.786  N/A
    /E GLU 135 N    /E ASN 131 O    no hydrogen  2.782  N/A
    /E ALA 136 N    /E GLU 132 O    no hydrogen  2.933  N/A
    /E SER 137 N    /E ILE 133 O    no hydrogen  2.757  N/A
    /E SER 137 OG   /E ILE 133 O    no hydrogen  2.576  N/A
    /E GLN 138 N    /E GLU 134 O    no hydrogen  3.023  N/A
    /E ARG 142 NH1  /E GLU 135 OE1  no hydrogen  3.551  N/A
    /E ARG 145 NH2  /E GLU 134 OE1  no hydrogen  2.611  N/A
    /F CYS 83 SG    /E GLY 234 O    no hydrogen  3.414  N/A
    /F SER 84 OG    /E ASP 9 OD1    no hydrogen  2.290  N/A
    /F SER 84 OG    /E ASP 9 OD2    no hydrogen  3.183  N/A
    /F ARG 86 NE    /A ASP 304 OD1  no hydrogen  2.876  N/A
    /F ARG 86 NH2   /A VAL 203 O    no hydrogen  2.419  N/A
    /F LEU 87 N     /F CYS 83 O     no hydrogen  2.943  N/A
    /F ALA 88 N     /F SER 84 O     no hydrogen  3.021  N/A
    /F VAL 89 N     /F MET 85 O     no hydrogen  3.103  N/A
    /F LEU 90 N     /F ARG 86 O     no hydrogen  3.025  N/A
    /F GLU 91 N     /F LEU 87 O     no hydrogen  2.924  N/A
    /F ILE 92 N     /F ALA 88 O     no hydrogen  3.059  N/A
    /F GLU 93 N     /F VAL 89 O     no hydrogen  3.126  N/A
    /F ARG 94 N     /F LEU 90 O     no hydrogen  2.937  N/A
    /F ARG 94 NH1   /A SEP 204 O3P  no hydrogen  3.195  N/A
    /F ARG 94 NH2   /A SEP 204 O3P  no hydrogen  2.483  N/A
    /F GLN 95 N     /F GLU 91 O     no hydrogen  2.889  N/A
    /F GLU 96 N     /F ILE 92 O     no hydrogen  2.939  N/A
    /F THR 97 N     /F GLU 93 O     no hydrogen  2.936  N/A
    /F THR 97 OG1   /F GLU 93 O     no hydrogen  2.687  N/A
    /F ALA 98 N     /F ARG 94 O     no hydrogen  2.816  N/A
    /F MET 99 N     /F GLN 95 O     no hydrogen  2.801  N/A
    /F LYS 100 N    /F GLU 96 O     no hydrogen  2.991  N/A
    /F LYS 101 N    /F THR 97 O     no hydrogen  3.040  N/A
    /F LYS 102 N    /F ALA 98 O     no hydrogen  2.794  N/A
    /F GLU 103 N    /F MET 99 O     no hydrogen  2.974  N/A
    /F GLU 104 N    /F LYS 100 O    no hydrogen  3.007  N/A
    /F SER 105 N    /F LYS 101 O    no hydrogen  2.826  N/A
    /F LYS 106 N    /F LYS 102 O    no hydrogen  2.789  N/A
    /F ARG 107 N    /F GLU 103 O    no hydrogen  2.981  N/A
    /F GLN 108 N    /F GLU 104 O    no hydrogen  2.803  N/A
    /F LYS 109 N    /F SER 105 O    no hydrogen  2.664  N/A
    /F ILE 110 N    /F LYS 106 O    no hydrogen  3.237  N/A
    /F LYS 111 N    /F ARG 107 O    no hydrogen  3.425  N/A
    /F LYS 112 N    /F GLN 108 O    no hydrogen  2.747  N/A
    /F LYS 112 NZ   /F GLN 108 OE1  no hydrogen  2.801  N/A
    /F THR 113 N    /F LYS 109 O    no hydrogen  2.807  N/A
    /F THR 113 N    /F ILE 110 O    no hydrogen  3.293  N/A
    /F THR 113 OG1  /F LYS 109 O    no hydrogen  2.572  N/A
    /F GLU 115 N    /F LYS 111 O    no hydrogen  3.171  N/A
    /F ARG 116 N    /F LYS 112 O    no hydrogen  2.732  N/A
    /F LYS 117 N    /F THR 113 O    no hydrogen  3.163  N/A
    /F LYS 118 N    /F LYS 114 O    no hydrogen  3.291  N/A
    /F HIS 119 N    /F GLU 115 O    no hydrogen  2.829  N/A
    /F ALA 120 N    /F ARG 116 O    no hydrogen  2.736  N/A
    /F ILE 121 N    /F LYS 117 O    no hydrogen  3.078  N/A
    /F GLN 122 N    /F LYS 118 O    no hydrogen  3.064  N/A
    /F ALA 123 N    /F HIS 119 O    no hydrogen  2.770  N/A
    /F ALA 124 N    /F ALA 120 O    no hydrogen  2.881  N/A
    /F LYS 125 N    /F ILE 121 O    no hydrogen  3.083  N/A
    /F THR 126 N    /F GLN 122 O    no hydrogen  2.918  N/A
    /F THR 126 OG1  /F GLN 122 O    no hydrogen  3.002  N/A
    /F ARG 127 N    /F ALA 123 O    no hydrogen  2.832  N/A
    /F LYS 128 N    /F ALA 124 O    no hydrogen  2.918  N/A
    /F GLN 129 N    /F LYS 125 O    no hydrogen  2.956  N/A
    /F ARG 130 N    /F THR 126 O    no hydrogen  2.852  N/A
    /F ASN 131 N    /F ARG 127 O    no hydrogen  2.936  N/A
    /F ASN 131 ND2  /G DC 10 OP2    no hydrogen  3.191  N/A
    /F GLU 132 N    /F LYS 128 O    no hydrogen  2.950  N/A
    /F ILE 133 N    /F GLN 129 O    no hydrogen  2.875  N/A
    /F GLU 134 N    /F ARG 130 O    no hydrogen  2.813  N/A
    /F GLU 135 N    /F ASN 131 O    no hydrogen  2.813  N/A
    /F ALA 136 N    /F GLU 132 O    no hydrogen  2.970  N/A
    /F SER 137 N    /F ILE 133 O    no hydrogen  2.807  N/A
    /F SER 137 OG   /F ILE 133 O    no hydrogen  2.626  N/A
    /F GLN 138 N    /F GLU 134 O    no hydrogen  3.062  N/A
    /F ARG 145 NH2  /F GLU 134 OE1  no hydrogen  2.688  N/A
    

  
137 hydrogen bonds found  

> style sel ball

Changed 258 atom styles  

> select up

1121 atoms, 1109 bonds, 131 residues, 1 model selected  

> style sel ball

Changed 1121 atom styles  

> select clear

Alignment identifier is 2  
Alignment identifier is 3  
Alignment identifier is 4  
Alignment identifier is 5  

> select clear

> select /G-H:1-2

86 atoms, 94 bonds, 4 residues, 1 model selected  

> select /G-H:1-43

1766 atoms, 1976 bonds, 86 residues, 1 model selected  

> select clear

> select /A-B:186

20 atoms, 18 bonds, 2 residues, 1 model selected  

> select /A-B:186

20 atoms, 18 bonds, 2 residues, 1 model selected  

> close #1.1

> show sel atoms

> style sel sphere

Changed 20 atom styles  

> color sel byhetero

> select clear

Drag select of 7 residues  
Drag select of 15 residues  

> select up

846 atoms, 851 bonds, 112 residues, 1 model selected  

> select up

7523 atoms, 7683 bonds, 945 residues, 1 model selected  

> hide sel cartoons

Drag select of 14 residues  

> select up

482 atoms, 490 bonds, 64 residues, 1 model selected  

> select up

3055 atoms, 3127 bonds, 385 residues, 1 model selected  

> hide sel cartoons

> select clear

Drag select of 2 residues  

> select up

75 atoms, 75 bonds, 10 residues, 1 model selected  

> select up

2817 atoms, 2865 bonds, 345 residues, 1 model selected  

> rainbow sel

Drag select of 4 residues  

> select up

216 atoms, 220 bonds, 26 residues, 1 model selected  

> select up

2817 atoms, 2865 bonds, 345 residues, 1 model selected  

> rainbow sel

> select clear

Drag select of 21 residues  

> select up

380 atoms, 382 bonds, 45 residues, 1 model selected  

> select up

5634 atoms, 5730 bonds, 690 residues, 1 model selected  

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif_E SES
surface #1.1: minimum, -19.54, mean -0.18, maximum 15.79  
Coulombic values for fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif_F SES
surface #1.2: minimum, -18.71, mean -0.20, maximum 15.51  
To also show corresponding color key, enter the above coulombic command and
add key true  

> show sel cartoons

> select clear

> select /A-B:285-286

30 atoms, 30 bonds, 4 residues, 1 model selected  

> select /A-B:285-385

1632 atoms, 1662 bonds, 202 residues, 1 model selected  

> show sel cartoons

> select /C-D:201

14 atoms, 12 bonds, 2 residues, 1 model selected  

> select /C-D:201-280

1298 atoms, 1324 bonds, 160 residues, 1 model selected  

> show sel cartoons

> select clear

> show cartoons

> select clear

Drag select of fold_2024_05_09_10_36phosdsb_1_wdna_model_0.cif_F SES surface,
35405 of 414852 triangles, 16 atoms, 43 residues, 13 bonds  

> select clear

> select /E-F:100

18 atoms, 16 bonds, 2 residues, 1 model selected  

> select /E-F:100-119

358 atoms, 358 bonds, 40 residues, 1 model selected  

> set bgColor white

> movie record

> turn y 2 180

> wait 180

> movie encode /Users/pcarlton/Desktop/movie3.mp4

Movie saved to /Users/pcarlton/Desktop/movie3.mp4  
  

> close

> open
> /Users/pcarlton/Downloads/fold_2024_05_09_10_36phosdsb_1_wdna/fold_2024_05_09_10_36phosdsb_1_wdna_model_1.cif

Chain information for fold_2024_05_09_10_36phosdsb_1_wdna_model_1.cif #1  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
  

> hide atoms

> show cartoons

Drag select of 3 residues  

> select up

438 atoms, 438 bonds, 52 residues, 1 model selected  

> select up

2817 atoms, 2865 bonds, 345 residues, 1 model selected  

> select up

18062 atoms, 18610 bonds, 2110 residues, 1 model selected  

> select down

2817 atoms, 2865 bonds, 345 residues, 1 model selected  

> select add /F:110

2825 atoms, 2872 bonds, 346 residues, 1 model selected  

> select up

3249 atoms, 3297 bonds, 396 residues, 1 model selected  

> select up

5634 atoms, 5730 bonds, 690 residues, 1 model selected  

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for fold_2024_05_09_10_36phosdsb_1_wdna_model_1.cif_E SES
surface #1.1: minimum, -17.65, mean -0.16, maximum 19.29  
Coulombic values for fold_2024_05_09_10_36phosdsb_1_wdna_model_1.cif_F SES
surface #1.2: minimum, -17.58, mean -0.16, maximum 18.76  
To also show corresponding color key, enter the above coulombic command and
add key true  

> open
> /Users/pcarlton/Downloads/fold_2024_05_09_10_36dsb_123_wdna/fold_2024_05_09_10_36dsb_123_wdna_model_0.cif

Chain information for fold_2024_05_09_10_36dsb_123_wdna_model_0.cif #2  
---  
Chain | Description  
A B | .  
C D | .  
E F | .  
G H | .  
  

> hide #!1 models

> close #1

> hide atoms

> show cartoons

> select /F:88

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select add /E:135

14 atoms, 12 bonds, 2 residues, 1 model selected  

> select up

874 atoms, 874 bonds, 104 residues, 1 model selected  

> select up

5634 atoms, 5730 bonds, 690 residues, 1 model selected  

> coulombic sel


===== 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  

> open
> /Users/pcarlton/Downloads/fold_2024_05_09_11_32_scerec114x4_mei4x2_dna/fold_2024_05_09_11_32_scerec114x4_mei4x2_dna_model_0.cif

Chain information for fold_2024_05_09_11_32_scerec114x4_mei4x2_dna_model_0.cif
#1  
---  
Chain | Description  
A B C D | .  
E F | .  
G H | .  
  




OpenGL version: 4.1 ATI-4.8.101
OpenGL renderer: AMD Radeon R9 M380 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: iMac
      Model Identifier: iMac17,1
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 3.2 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 6 MB
      Memory: 32 GB
      System Firmware Version: 522.0.0.0.0
      OS Loader Version: 540.120.3~37
      SMC Version (system): 2.33f12

Software:

    System Software Overview:

      System Version: macOS 12.7.1 (21G920)
      Kernel Version: Darwin 21.6.0
      Time since boot: 8 days 21:10

Graphics/Displays:

    AMD Radeon R9 M380:

      Chipset Model: AMD Radeon R9 M380
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 2 GB
      Vendor: AMD (0x1002)
      Device ID: 0x6640
      Revision ID: 0x0080
      ROM Revision: 113-C6005R-800
      VBIOS Version: 113-C6005T-009
      EFI Driver Version: 01.00.800
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        iMac:
          Display Type: Built-In Retina LCD
          Resolution: Retina 5K (5120 x 2880)
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        EV2336W:
          Resolution: 1080 x 1920
          UI Looks like: 1080 x 1920
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: 80101073
          Mirror: Off
          Online: Yes
          Rotation: 90


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
