﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
15287	Crash in garbage collection	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-14.3.1-x86_64-i386-64bit
ChimeraX Version: 1.7 (2023-12-19 08:36:03 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x00000003153c3000 (most recent call first):
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 324 in wait
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 622 in wait
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1392 in run
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Current thread 0x0000000202d41240 (most recent call first):
  Garbage-collecting
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/numpy/core/_internal.py"", line 283 in data_as
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molc.py"", line 333 in pointer
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molc.py"", line 251 in set_cvec_pointer
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 133 in __init__
  File ""/Applications/ChimeraX-1.7.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.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 97 in _atoms_pair
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molc.py"", line 209 in get_prop
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py"", line 1137 in between_atoms
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/pbgroup.py"", line 415 in interatom_pseudobonds
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py"", line 1136 in add_implied_bonds
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py"", line 1122 in evaluate
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/std_commands/defattr.py"", line 185 in defattr
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/add_charge/charge.py"", line 81 in add_standard_charges
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/add_charge/charge.py"", line 34 in add_charges
  File ""/Applications/ChimeraX-1.7.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/coulombic/coulombic.py"", line 110 in assign_charges
  File ""/Applications/ChimeraX-1.7.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.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.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.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.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.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.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.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.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.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.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.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.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.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.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.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.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.pdb_lib._load_libs, chimerax.surface._surface, 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, lxml._elementpath, lxml.etree, openmm._openmm, openmm.app.internal.compiled, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp, chimerax.mlp._mlp (total: 68)


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  ""procExitAbsTime"" : 4773716291823,
  ""procName"" : ""ChimeraX"",
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  ""vmRegionInfo"" : ""0xa9 is not in any region.  Bytes before following region: 140723170197335\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      mapped file              7ffcaa924000-7ffcd36d4000 [653.7M] r-x\/r-x SM=COW  ...t_id=489a6acf"",
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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 (2023-12-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb""

Chain information for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb
#1  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb""

Chain information for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb
#2  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb""

Chain information for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb
#3  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb""

Chain information for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb
#4  
---  
Chain | Description  
A | No description available  
  

> select #4/A:148-1000

574 atoms, 580 bonds, 75 residues, 1 model selected  

> hide sel cartoons

> mmaker #2,3,4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb, chain A
(#2), sequence alignment score = 441.1  
RMSD between 80 pruned atom pairs is 0.949 angstroms; (across all 198 pairs:
20.445)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb, chain A
(#3), sequence alignment score = 363.8  
RMSD between 53 pruned atom pairs is 1.083 angstroms; (across all 192 pairs:
27.603)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb, chain A
(#4), sequence alignment score = 305.6  
RMSD between 73 pruned atom pairs is 1.008 angstroms; (across all 197 pairs:
25.672)  
  

> select clear

Drag select of 239 residues  

> hide sel cartoons

Drag select of 58 residues  

> hide sel cartoons

Drag select of 40 residues  

> hide sel cartoons

Drag select of 23 residues  

> hide sel cartoons

Drag select of 5 residues  

> hide sel cartoons

Drag select of 1 residues  

> hide sel cartoons

Drag select of 415 residues  

> hide #1 models

Drag select of 310 residues  

> mmaker sel to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb, chain A
(#2), sequence alignment score = 269.6  
RMSD between 81 pruned atom pairs is 0.950 angstroms; (across all 105 pairs:
2.156)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb, chain A
(#3), sequence alignment score = 234.4  
RMSD between 65 pruned atom pairs is 0.931 angstroms; (across all 105 pairs:
4.850)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb, chain A
(#4), sequence alignment score = 188.5  
RMSD between 72 pruned atom pairs is 1.018 angstroms; (across all 92 pairs:
3.105)  
  

> select clear

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A.cxs""

Drag select of 310 residues  

> show sel surfaces

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -24.32, mean -0.55, maximum 15.43  
Coulombic values for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A
SES surface #3.1: minimum, -24.41, mean -0.31, maximum 13.04  
Coulombic values for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface #4.1: minimum, -22.62, mean -2.13, maximum 12.98  
To also show corresponding color key, enter the above coulombic command and
add key true  

> tile

3 models tiled  

> set independent

Expected a keyword  

> select clear

> hide #!2 models

> hide #!3 models

> hide #!4 models

> show #!4 models

> show #!3 models

> show #!2 models

> show #1 models

> select clear

> ~tile

> unset independent

Unknown command: unset independent  
Drag select of A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES
surface, 135720 of 316024 triangles,
A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface, 135269
of 292316 triangles, A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface, 96941 of 265220 triangles, 415 residues  

> show sel surfaces

> hide sel cartoons

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A
SES surface #1.1: minimum, -18.21, mean -0.32, maximum 17.90  
Coulombic values for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -24.32, mean -0.55, maximum 15.43  
Coulombic values for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A
SES surface #3.1: minimum, -24.41, mean -0.31, maximum 13.04  
Coulombic values for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface #4.1: minimum, -22.62, mean -2.13, maximum 12.98  
To also show corresponding color key, enter the above coulombic command and
add key true  

> tile

4 models tiled  

> select clear

> ~tile

> select clear

> hide #!1 models

> hide #!2-4 surfaces

> show #!2-4 atoms

> show #!2-4 cartoons

> undo

> hide #!1 models

> show #!1 models

Drag select of A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES
surface, 127850 of 269442 triangles  

> hide surfaces

> show cartoons

> select add #1

1535 atoms, 1544 bonds, 199 residues, 2 models selected  

> select subtract #1

1 model selected  

> hide #!4 models

> hide #!3 models

> hide #!2 models

Drag select of 92 residues  

> select sel

1535 atoms, 715 bonds, 199 residues, 1 model selected  
Drag select of 93 residues  

> delete sel

> show #!2 models

> hide #!1 models

Drag select of 82 residues  
Drag select of 95 residues  

> delete sel

Drag select of 6 residues, 2 pseudobonds  

> delete sel

Drag select of 2 residues  
Drag select of 1 pseudobonds  

> delete sel

> show #!3 models

> hide #!2 models

Drag select of 98 residues  

> delete sel

> show #!4 models

> hide #!3 models

Drag select of 74 residues  

> delete sel

Drag select of 50 residues, 1 pseudobonds  

> delete sel

Drag select of 1 residues  

> delete sel

Drag select of 1 residues  

> delete sel

> select clear

> mmaker #2,3,4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb, chain A
(#2), sequence alignment score = 332.2  
RMSD between 82 pruned atom pairs is 0.962 angstroms; (across all 106 pairs:
2.284)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb, chain A
(#3), sequence alignment score = 273.7  
RMSD between 65 pruned atom pairs is 0.931 angstroms; (across all 105 pairs:
4.850)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb, chain A
(#4), sequence alignment score = 216.2  
RMSD between 71 pruned atom pairs is 1.000 angstroms; (across all 93 pairs:
4.763)  
  

> show #!3 models

> show #!2 models

> show #!1 models

Drag select of 433 residues, 3 pseudobonds  

> show sel surfaces

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed.cxs""

> coulombic sel

Coulombic values for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A
SES surface #1.1: minimum, -8.61, mean 3.85, maximum 14.91  
Coulombic values for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -8.57, mean 4.40, maximum 21.60  
Coulombic values for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A
SES surface #3.1: minimum, -9.92, mean 4.07, maximum 13.56  
Coulombic values for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface #4.1: minimum, -19.02, mean 3.75, maximum 16.03  
To also show corresponding color key, enter the above coulombic command and
add key true  

> select clear

> tile

4 models tiled  

> preset custom pretty

Using preset: Custom / Pretty  
Preset expands to these ChimeraX commands:

    
    
    lighting soft
    set bgColor white
    cartoon style coil width 1.5 thickness 0.8
    cartoon style helix xsection round width 3 thickness 0.8
    cartoon style strand xsection round width 3 thickness 0.8
    cartoon style strand arrowscale 1
    cartoon style helix xsection oval sides 10
    graphics silhouettes true
    graphics silhouettes width 1.5
    graphics silhouettes depthJump 0.003
    lighting msDepthBias 0.004
    lighting shadows true intensity 0.06
    lighting depthCueColor #000000

  

> lighting simple

> lighting full

> lighting simple

> lighting full

> lighting flat

> graphics silhouettes false

> graphics silhouettes true

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed-tile.cxs""

Drag select of A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES
surface, A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES
surface, 158710 of 160854 triangles,
A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface,
A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A SES surface, 111786
of 116072 triangles, 433 residues, 3 pseudobonds  

> mlp sel

Map values for surface
""A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A SES surface"":
minimum -23.26, mean -2.511, maximum 21.79  
Map values for surface
""A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES surface"":
minimum -24.59, mean -3.12, maximum 22.37  
Map values for surface
""A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface"":
minimum -24.27, mean -3.301, maximum 21.98  
Map values for surface
""A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES surface"":
minimum -23.57, mean -2.63, maximum 22.79  
To also show corresponding color key, enter the above mlp command and add key
true  

> select clear

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed-tile.cxs"" format session

opened ChimeraX session  

> ~tile

> set independent

Expected a keyword  

> select clear

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb""

Chain information for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb
#5  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb""

Chain information for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb
#6  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb""

Chain information for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb
#7  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb""

Chain information for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb
#8  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb""

Chain information for
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb #9  
---  
Chain | Description  
A | No description available  
  

> close #5-9

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb""

Chain information for
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb #5  
---  
Chain | Description  
A | No description available  
  

> mmaker #5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb,
chain A (#5), sequence alignment score = 312.6  
RMSD between 103 pruned atom pairs is 0.900 angstroms; (across all 106 pairs:
1.626)  
  

> hide #!2 models

> hide #!3 models

> hide #!4 models

> hide #!1 models

Drag select of 26 residues  

> select clear

Drag select of 27 residues  

> hide sel cartoons

Drag select of 12 residues  
Drag select of 28 residues  

> hide sel cartoons

Drag select of 19 residues  

> hide sel cartoons

Drag select of 14 residues  

> hide sel cartoons

Drag select of 8 residues  

> hide sel cartoons

Drag select of 108 residues  

> preset custom pretty

Using preset: Custom / Pretty  
Preset expands to these ChimeraX commands:

    
    
    lighting soft
    set bgColor white
    cartoon style coil width 1.5 thickness 0.8
    cartoon style helix xsection round width 3 thickness 0.8
    cartoon style strand xsection round width 3 thickness 0.8
    cartoon style strand arrowscale 1
    cartoon style helix xsection oval sides 10
    graphics silhouettes true
    graphics silhouettes width 1.5
    graphics silhouettes depthJump 0.003
    lighting msDepthBias 0.004
    lighting shadows true intensity 0.06
    lighting depthCueColor #000000

  

> select clear

> lighting flat

Drag select of 108 residues  

> show sel surfaces

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES surface
#5.1: minimum, -18.49, mean -2.16, maximum 13.88  
To also show corresponding color key, enter the above coulombic command and
add key true  

> select clear

> show #!4 models

> show #!3 models

> show #!2 models

> show #!1 models

> tile

5 models tiled  

> lighting flat

> hide #!5 models

> hide #!4 models

> hide #!3 models

> show #!3 models

> show #!4 models

> show #!5 models

> ~tile

> hide #!4 models

> hide #!3 models

> hide #!2 models

> hide #!1 models

> select clear

Drag select of
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES surface,
129440 of 263968 triangles, 108 residues  

> hide sel surfaces

> select clear

> select #5/A:121-1000

638 atoms, 640 bonds, 84 residues, 1 model selected  

> delete sel

> select clear

> mmaker #2,3,4,5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb, chain A
(#2), sequence alignment score = 332.2  
RMSD between 82 pruned atom pairs is 0.962 angstroms; (across all 106 pairs:
2.284)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb, chain A
(#3), sequence alignment score = 273.7  
RMSD between 65 pruned atom pairs is 0.931 angstroms; (across all 105 pairs:
4.850)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb, chain A
(#4), sequence alignment score = 216.2  
RMSD between 71 pruned atom pairs is 1.000 angstroms; (across all 93 pairs:
4.763)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb,
chain A (#5), sequence alignment score = 312.6  
RMSD between 103 pruned atom pairs is 0.900 angstroms; (across all 106 pairs:
1.626)  
  

> mmaker #2,3,4,5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb, chain A
(#2), sequence alignment score = 332.2  
RMSD between 82 pruned atom pairs is 0.962 angstroms; (across all 106 pairs:
2.284)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb, chain A
(#3), sequence alignment score = 273.7  
RMSD between 65 pruned atom pairs is 0.931 angstroms; (across all 105 pairs:
4.850)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb, chain A
(#4), sequence alignment score = 216.2  
RMSD between 71 pruned atom pairs is 1.000 angstroms; (across all 93 pairs:
4.763)  
  
Matchmaker A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb, chain A
(#1) with A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb,
chain A (#5), sequence alignment score = 312.6  
RMSD between 103 pruned atom pairs is 0.900 angstroms; (across all 106 pairs:
1.626)  
  

> show #!4 models

> show #!3 models

> show #!2 models

> show #!1 models

Drag select of A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES
surface, A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES
surface, 158710 of 160854 triangles,
A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface,
A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A SES surface, 111786
of 116072 triangles, 541 residues, 3 pseudobonds  

> hide sel surfaces

> select clear

Drag select of 541 residues, 3 pseudobonds  

> show sel surfaces

> coulombic sel

Coulombic values for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A
SES surface #1.1: minimum, -8.61, mean 3.85, maximum 14.91  
Coulombic values for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -8.57, mean 4.40, maximum 21.60  
Coulombic values for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A
SES surface #3.1: minimum, -9.92, mean 4.07, maximum 13.56  
Coulombic values for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface #4.1: minimum, -19.02, mean 3.75, maximum 16.03  
Coulombic values for
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES surface
#5.1: minimum, -11.25, mean 2.73, maximum 15.89  
To also show corresponding color key, enter the above coulombic command and
add key true  

> tile

5 models tiled  

> lighting flat

> select clear

> hide #!5 models

> show #!5 models

Drag select of A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES
surface, A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES
surface, 158710 of 160854 triangles,
A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface,
A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A SES surface, 111786
of 116072 triangles,
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES surface,
135766 of 155374 triangles, 541 residues, 3 pseudobonds  

> mlp sel

Map values for surface
""A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A SES surface"":
minimum -23.89, mean -2.511, maximum 22.01  
Map values for surface
""A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A SES surface"":
minimum -23.99, mean -2.623, maximum 22.52  
Map values for surface
""A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A SES surface"":
minimum -24.39, mean -3.119, maximum 22.32  
Map values for surface
""A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A SES surface"":
minimum -24.03, mean -3.298, maximum 21.89  
Map values for surface
""A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES
surface"": minimum -25.52, mean -2.236, maximum 23.19  
To also show corresponding color key, enter the above mlp command and add key
true  

> select clear

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed-tile.cxs""

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb""

Chain information for
B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb #1  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb""

Chain information for B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb
#2  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb""

Chain information for B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb
#3  
---  
Chain | Description  
A | No description available  
  

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter
> Lab/ESCRT/Sequences/AF/B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb""

Chain information for B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb
#4  
---  
Chain | Description  
A | No description available  
  

> mmaker #2,3,4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb,
chain A (#1) with B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb,
chain A (#2), sequence alignment score = 398.6  
RMSD between 92 pruned atom pairs is 0.898 angstroms; (across all 198 pairs:
28.349)  
  
Matchmaker B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb,
chain A (#1) with B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb,
chain A (#3), sequence alignment score = 311.9  
RMSD between 51 pruned atom pairs is 0.802 angstroms; (across all 184 pairs:
28.775)  
  
Matchmaker B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb,
chain A (#1) with B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb,
chain A (#4), sequence alignment score = 368.6  
RMSD between 99 pruned atom pairs is 0.792 angstroms; (across all 179 pairs:
58.784)  
  

> select #1/A:209

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

Drag select of 163 residues  

> hide sel cartoons

Drag select of 96 residues  

> hide sel cartoons

Drag select of 58 residues  

> hide sel cartoons

> select clear

Drag select of 11 residues  

> hide sel cartoons

Drag select of 20 residues  

> hide sel cartoons

Drag select of 34 residues  

> hide sel cartoons

Drag select of 6 residues  

> select clear

Drag select of 7 residues  

> hide sel cartoons

Drag select of 26 residues  

> hide sel cartoons

Drag select of 447 residues  

> selsel ~sel

Unknown command: selsel ~sel  

> select ~sel

3189 atoms, 3221 bonds, 415 residues, 4 models selected  

> delete sel

> select clear

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-B-trimmed.cxs""

> preset custom pretty

Using preset: Custom / Pretty  
Preset expands to these ChimeraX commands:

    
    
    lighting soft
    set bgColor white
    cartoon style coil width 1.5 thickness 0.8
    cartoon style helix xsection round width 3 thickness 0.8
    cartoon style strand xsection round width 3 thickness 0.8
    cartoon style strand arrowscale 1
    cartoon style helix xsection oval sides 10
    graphics silhouettes true
    graphics silhouettes width 1.5
    graphics silhouettes depthJump 0.003
    lighting msDepthBias 0.004
    lighting shadows true intensity 0.06
    lighting depthCueColor #000000

  

> lighting flat

> select clear

Drag select of 447 residues  

> show sel surfaces

> coulombic sel

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb_A SES surface
#1.1: minimum, -11.42, mean 2.72, maximum 18.36  
Coulombic values for B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -14.63, mean 0.49, maximum 13.66  
Coulombic values for B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb_A
SES surface #3.1: minimum, -16.50, mean 1.87, maximum 14.68  
Coulombic values for B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb_A
SES surface #4.1: minimum, -14.75, mean 1.75, maximum 16.03  
To also show corresponding color key, enter the above coulombic command and
add key true  

> tile

4 models tiled  

> lighting flat

> select clear

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!4 models

> show #!4 models

Drag select of
B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb_A SES surface,
B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb_A SES surface,
B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb_A SES surface, 143622
of 146610 triangles, B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb_A
SES surface, 447 residues  

> mlp sel

Map values for surface
""B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb_A SES surface"":
minimum -26.86, mean -3.543, maximum 20.8  
Map values for surface
""B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb_A SES surface"":
minimum -22.92, mean -3.301, maximum 22.03  
Map values for surface
""B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb_A SES surface"":
minimum -24.58, mean -4.119, maximum 21.9  
Map values for surface
""B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb_A SES
surface"": minimum -26.3, mean -3.66, maximum 21.22  
To also show corresponding color key, enter the above mlp command and add key
true  

> select clear

> save ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-B-trimmed-tile.cxs""

> coulombic

Coulombic values for
B_HeimAB125_14020_A0A1Q9PC98_0a901_unrelaxed_rank_1_model_5.pdb_A SES surface
#1.1: minimum, -11.42, mean 2.72, maximum 18.36  
Coulombic values for B_Human_CHM4B_Q9H444_85b26_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -14.63, mean 0.49, maximum 13.66  
Coulombic values for B_Human_CHMP5_Q9NZZ3_56a78_unrelaxed_rank_1_model_4.pdb_A
SES surface #3.1: minimum, -16.50, mean 1.87, maximum 14.68  
Coulombic values for B_Human_CHMP6_Q96FZ7_511fe_unrelaxed_rank_1_model_5.pdb_A
SES surface #4.1: minimum, -14.75, mean 1.75, maximum 16.03  
To also show corresponding color key, enter the above coulombic command and
add key true  

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed-tile.cxs"" format session

opened ChimeraX session  

> tile

5 models tiled  

> lighting flat

> coulombic

Coulombic values for A_Human_CHM1B_Q7LBR1_241ce_unrelaxed_rank_1_model_3.pdb_A
SES surface #1.1: minimum, -8.61, mean 3.85, maximum 14.91  
Coulombic values for A_Human_CHM2A_O43633_4b9b9_unrelaxed_rank_1_model_4.pdb_A
SES surface #2.1: minimum, -8.57, mean 4.40, maximum 21.60  
Coulombic values for A_Human_CHM2B_Q9UQN3_5a6b5_unrelaxed_rank_1_model_1.pdb_A
SES surface #3.1: minimum, -9.92, mean 4.07, maximum 13.56  
Coulombic values for A_Human_CHMP3_Q9Y3E7_99010_unrelaxed_rank_1_model_3.pdb_A
SES surface #4.1: minimum, -19.02, mean 3.75, maximum 16.03  
Coulombic values for
A_HeimAB125_14010_A0A1Q9PC75_dea70_unrelaxed_rank_1_model_4.pdb_A SES surface
#5.1: minimum, -11.25, mean 2.73, maximum 15.89  
To also show corresponding color key, enter the above coulombic command and
add key true  

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Final/Filament
> sessions/our-contacts.cxs"" format session

opened ChimeraX session  

> show #!3 models

> hide #!4 models

Drag select of 282 residues  

> show sel surfaces

> coulombic sel

The following heavy (non-hydrogen) atoms are missing, which may result in
inaccurate electrostatics:  
7zcg #3/A LEU 169 OXT  
7zcg #3/B GLU 154 OXT  

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for 7zcg_A SES surface #3.1: minimum, -27.03, mean -0.40,
maximum 15.87  
Coulombic values for 7zcg_B SES surface #3.2: minimum, -20.82, mean 1.98,
maximum 21.99  
To also show corresponding color key, enter the above coulombic command and
add key true  

> select #3/B

1194 atoms, 1198 bonds, 147 residues, 1 model selected  

> select #3/A

1274 atoms, 1281 bonds, 159 residues, 1 model selected  

> hide sel surfaces

> select clear

> lighting flat

> select #3/A

1274 atoms, 1281 bonds, 159 residues, 1 model selected  

> show sel surfaces

> select #3/B

1194 atoms, 1198 bonds, 147 residues, 1 model selected  

> hide sel surfaces

> select clear

> preset custom pretty

Using preset: Custom / Pretty  
Preset expands to these ChimeraX commands:

    
    
    lighting soft
    set bgColor white
    cartoon style coil width 1.5 thickness 0.8
    cartoon style helix xsection round width 3 thickness 0.8
    cartoon style strand xsection round width 3 thickness 0.8
    cartoon style strand arrowscale 1
    cartoon style helix xsection oval sides 10
    graphics silhouettes true
    graphics silhouettes width 1.5
    graphics silhouettes depthJump 0.003
    lighting msDepthBias 0.004
    lighting shadows true intensity 0.06
    lighting depthCueColor #000000

  

> lighting full

> lighting flat

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-B-trimmed.cxs"" format session

opened ChimeraX session  

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Sequences/AF-
> alpha12-A-trimmed-tile.cxs"" format session

opened ChimeraX session  

> close session

> open ""/Users/chaaban/Library/CloudStorage/OneDrive-
> MRCLaboratoryofMolecularBiology/Documents/Carter Lab/ESCRT/Final/Filament
> sessions/our-contacts.cxs"" format session

opened ChimeraX session  
Drag select of 257 residues  

> preset custom pretty

Using preset: Custom / Pretty  
Preset expands to these ChimeraX commands:

    
    
    lighting soft
    set bgColor white
    cartoon style coil width 1.5 thickness 0.8
    cartoon style helix xsection round width 3 thickness 0.8
    cartoon style strand xsection round width 3 thickness 0.8
    cartoon style strand arrowscale 1
    cartoon style helix xsection oval sides 10
    graphics silhouettes true
    graphics silhouettes width 1.5
    graphics silhouettes depthJump 0.003
    lighting msDepthBias 0.004
    lighting shadows true intensity 0.06
    lighting depthCueColor #000000

  
Drag select of 338 residues  

> show sel surfaces

> coulombic sel

The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:  
240423-phenix3_real_space_refined_000_modified_twochains.pdb #4.18/A ASN 4  
240423-phenix3_real_space_refined_000_modified_twochains.pdb #4.18/A TRP 5  
240423-phenix3_real_space_refined_000_modified_twochains.pdb #4.20/A ASN 4  
240423-phenix3_real_space_refined_000_modified_twochains.pdb #4.20/A TRP 5  


===== 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 (2023-12-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M2 Max
OpenGL vendor: Apple

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: Mac
      Model Identifier: Mac14,5
      Model Number: Z17J0018AB/A
      Chip: Unknown
      Total Number of Cores: 12 (8 performance and 4 efficiency)
      Memory: 64 GB
      System Firmware Version: 10151.81.1
      OS Loader Version: 10151.81.1

Software:

    System Software Overview:

      System Version: macOS 14.3.1 (23D60)
      Kernel Version: Darwin 23.3.0
      Time since boot: 3 days, 48 minutes

Graphics/Displays:

    Apple M2 Max:

      Chipset Model: Apple M2 Max
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 30
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        DELL P2717H:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
        DELL P2722H:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Mirror: Off
          Online: Yes


Installed Packages:
    alabaster: 0.7.13
    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: 2.12.1
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.3
    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-Clipper: 0.22.3
    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
    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-ISOLDE: 1.7
    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
    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: 1.5.13
    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: 1.0.3
    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: 1.12.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    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: 1.33.2
    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: 0.2.0
    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: 4.47.0
    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: 5.5.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.8
    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: 10.0.1
    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: 1.0.7
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.5
    sphinxcontrib-htmlhelp: 2.0.4
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.6
    sphinxcontrib-serializinghtml: 1.1.9
    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: 2023.3
    urllib3: 2.1.0
    wcwidth: 0.2.12
    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
