﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
17231	Crash on Mac waking from sleep	psrini7@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-15.3.2-arm64-arm-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 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 0x00000001fc574840 (most recent call first):
  File ""/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 315 in event_loop
  File ""/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1003 in init
  File ""/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1166 in 
  File """", line 88 in _run_code
  File """", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, chimerax.pdb_lib._load_libs, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, 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.atom_search.ast, chimerax.chem_group._chem_group, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize (total: 62)


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===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/bft-1_project/structures/bft1_8h3y_nanbody.pdb1

Summary of feedback from opening
/Users/poojasrinivas/Library/CloudStorage/OneDrive-
UW/Desktop/mougouslab/bft-1_project/structures/bft1_8h3y_nanbody.pdb1  
---  
warnings | Start residue of secondary structure not found: HELIX 15 AB6 SER B 44 ASP B 54 1 11  
Start residue of secondary structure not found: HELIX 16 AB7 ARG B 96 ASP B 99
5 4  
Start residue of secondary structure not found: HELIX 17 AB8 GLU B 128 ALA B
141 1 14  
Start residue of secondary structure not found: HELIX 18 AB9 PRO B 142 LYS B
144 5 3  
Start residue of secondary structure not found: HELIX 19 AC1 ASN B 150 GLU B
153 5 4  
94 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (22 )  
Cannot find LINK/SSBOND residue CYS (22 )  
Cannot find LINK/SSBOND residue ASP (194 )  
Cannot find LINK/SSBOND residue ASP (194 )  
Cannot find LINK/SSBOND residue HIS (348 )  
7 messages similar to the above omitted  
  
bft1_8h3y_nanbody.pdb1 title:  
Bacteroide fragilis toxin In complex with nanobody 327 [more info...]  
  
Chain information for bft1_8h3y_nanbody.pdb1 #1  
---  
Chain | Description  
A | No description available  
F | No description available  
  
Non-standard residues in bft1_8h3y_nanbody.pdb1 #1  
---  
ZN — zinc ion  
  
11 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> preset ""overall look"" ""publication 1 (silhouettes)""

Using preset: Overall Look / Publication 1 (Silhouettes)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t
    lighting depthCue f

  

> lighting soft

> select /F:2-121

918 atoms, 939 bonds, 120 residues, 1 model selected  

> hide sel cartoons

> hide pseudobondes

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide pseudobonds

> select :221

13 atoms, 12 bonds, 2 residues, 1 model selected  

> select :211

1 atom, 1 residue, 1 model selected  

> color :1-199 white

> color :199-500 purple

> color sel byhetero

> ui mousemode right select

> color sel byhetero

> select add #1

3868 atoms, 3739 bonds, 7 pseudobonds, 675 residues, 3 models selected  

> color sel byhetero

> select clear

> select /A:401@ZN

1 atom, 1 residue, 1 model selected  

> color sel green

> hbonds sel reveal true

0 hydrogen bonds found  

> select clear

> hbonds reveal true

912 hydrogen bonds found  

> ~hbonds

> hide :HOH

> hide atoms

> ui tool show ""Side View""

> preset ""overall look"" ""publication 2 (depth-cued)""

Using preset: Overall Look / Publication 2 (Depth-Cued)  
Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes f
    lighting depthCue t

  

> graphics silhouettes true

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/prodomaincloseup.png width
> 1800 height 1800 supersample 4 transparentBackground true

> hbonds reveal true

912 hydrogen bonds found  

> clip off

> ~hbonds

> hide #1

> open /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/bft-1_project/structures/BFT_Minibinder_3.pdb

Chain information for BFT_Minibinder_3.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> matchmaker #2 to #`

Invalid ""to"" argument: invalid atoms specifier  

> matchmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker bft1_8h3y_nanbody.pdb1, chain A (#1) with BFT_Minibinder_3.pdb,
chain A (#2), sequence alignment score = 971.5  
RMSD between 186 pruned atom pairs is 0.400 angstroms; (across all 186 pairs:
0.400)  
  

> hide #2/A

> hide #2/A cartoons

> color #2/B #EAAE11

Drag select of 1 residues  

> color sel white

> select clear

> open /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/bft-1_project/newminibinders/fold_bft1_fold_kl_d2_3_model_0_7_b/fold_bft1_fold_kl_d2_3_model_0_7_b_model_0.cif

Chain information for fold_bft1_fold_kl_d2_3_model_0_7_b_model_0.cif #3  
---  
Chain | Description  
A | .  
B | .  
  

> matchmaker #3 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 bft1_8h3y_nanbody.pdb1, chain A (#1) with
fold_bft1_fold_kl_d2_3_model_0_7_b_model_0.cif, chain B (#3), sequence
alignment score = 960.7  
RMSD between 183 pruned atom pairs is 0.430 angstroms; (across all 186 pairs:
0.592)  
  

> hide #3/B surfaces

> hide #3/B cartoons

> hide #3 models

> hide #2#!1 atoms

> transparency #1/ :1-199 target c

Missing or invalid ""percent"" argument: Expected a number  

> transparency 100 #1/ :1-199 target c

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> transparency 100 #1/ :1-199 target cartoons

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> transparency #1/ :1-199 100 target cartoons

Missing or invalid ""percent"" argument: Expected a number  

> transparency #1/:1-199 100 target cartoons

Missing or invalid ""percent"" argument: Expected a number  

> transparency #1/:1-199 100 target cartoons

Missing or invalid ""percent"" argument: Expected a number  

> transparency #1/:1-199 100 target cartoons

Missing or invalid ""percent"" argument: Expected a number  

> transparency #1:1-199 100 target cartoons

Invalid ""target"" argument: Character 't' is not an allowed target, must be one
of acrsbmpfl  

> transparency #1:1-199 100 cartoons

> hide #1:1-199 cartoons

> hide #2 models

> show #2 models

> show #1:1-199 cartoons

> show #1/A:1-199 cartoons

> color #1:1-199 white

> color #1/A:1-199 white

> transparency #1:1-199 0 cartoons

Drag select of 4 residues  

> show sel cartoons

> show #1 cartoons

> undo

> select clear

> show pseudobonds

Drag select of 2 residues, 1 pseudobonds  

> hide sel pseudobonds

> select clear

> hide #2 models

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/fulllengthBFT_backside.png
> width 1800 height 1800 supersample 4 transparentBackground true

> hide #1:1-199 cartoons

> hide pseudobonds

Drag select of 2 atoms, 1 pseudobonds  

> hide sel atoms

> select #1/A:199@C

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> select clear

> hide #!1 atoms

> show #2 models

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft_mb03_backside.png width
> 1800 height 1800 supersample 4 transparentBackground true

> show #1/A

> show #1/A cartoons

> hide #2 models

Drag select of 1 residues, 1 pseudobonds  

> hide sel pseudobonds

> select clear

> show sel pseudobonds

> select clear

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/fulllengthBFT_backside2.png
> width 1800 height 1800 supersample 4 transparentBackground true

> hide #1:1-199 cartoons

> hide #1:1-199 pseudobonds

> select clear

> hide #!1 atoms

> select clear

> show #2 models

> show #1:1-199 cartoons

> ui tool show ""Show Sequence Viewer""

> sequence chain #1/A

Alignment identifier is 1/A  

> select #1/A :RENG

Nothing selected  

> select #1/A :R,E,N,G

Nothing selected  

> select #1/A @R,E,N,G

348 atoms, 348 residues, 1 model selected  

> select clear

> select #1/A :Arg,Glu

302 atoms, 271 bonds, 32 residues, 1 model selected  

> select #1/A :Arg,Glu,Gln,Gly

467 atoms, 412 bonds, 62 residues, 1 model selected  

> select #1/A:226

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/A:226

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:238

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #1/A:238

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:246

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:246

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:255

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/A:254-255

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #1/A:254-255

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #1/A:254-255

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #1/A:255

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/A:255

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:262

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #1/A:262

11 atoms, 11 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:265

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/A:265

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel green

> select #1/A:296

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/A:296-297

20 atoms, 20 bonds, 2 residues, 1 model selected  

> select #1/A:296-297

20 atoms, 20 bonds, 2 residues, 1 model selected  

> select #1/A:296-297

20 atoms, 20 bonds, 2 residues, 1 model selected  

> select #1/A:296

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #1/A:296

12 atoms, 12 bonds, 1 residue, 1 model selected  

> color sel green

> select clear

> hide #!1 models

> show #!1 models

> hide #1/F

> hide #1/F cartoons

> hide #1:1-199 cartoons

> hide #2 models

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bftcartoon_interactingresidues.png
> width 1800 height 1800 supersample 4 transparentBackground true

> select #1 :238,246,255,262,265,296

59 atoms, 55 bonds, 7 residues, 1 model selected  

> select clear

> show #2 models

> select #1 :238,246,255,262,265,296

59 atoms, 55 bonds, 7 residues, 1 model selected  

> color sel purple

> show sel

> color byhetero

> select #1 :238,246,255,262,265,296,226

71 atoms, 65 bonds, 9 residues, 1 model selected  

> color sel purple

> color byhetero

> select #1/A:226

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

Drag select of 1 atoms  

> hide sel atoms

> select clear

> show #2 models

> hbonds #2#!1 reveal true

2575 hydrogen bonds found  

> delete /F

> delete :HOH

> select #1 :238,246,255,262,265,296,226

69 atoms, 65 bonds, 1 pseudobond, 7 residues, 2 models selected  

> color sel red

> hide #!1 models

> select add #1

2744 atoms, 2800 bonds, 324 pseudobonds, 349 residues, 4 models selected  

> select subtract #1

Nothing selected  

> show #!1 models

> hide #!1 models

> show #2 cartoons

> color #2/A purple

> select #2 :238,246,255,262,265,296,226

Nothing selected  

> select #2 :27,35,44,51,54,85,15

116 atoms, 107 bonds, 1 pseudobond, 13 residues, 2 models selected  

> select #2 :27,35,44,51,54,85,15,50

133 atoms, 125 bonds, 2 pseudobonds, 15 residues, 2 models selected  

> select #2/A :27,35,44,51,54,85,15,50,55

86 atoms, 83 bonds, 3 pseudobonds, 9 residues, 2 models selected  

> select #2/A :35,44,51,54,85,15,50,55

80 atoms, 78 bonds, 3 pseudobonds, 8 residues, 2 models selected  

> select #2/A :35,44,51,54,15,50,55

68 atoms, 66 bonds, 3 pseudobonds, 7 residues, 2 models selected  

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 3 pseudobonds, 8 residues, 2 models selected  

> hide sel atoms

> hide #2 atoms

> ~hbonds

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> select #2/B:42

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hbonds sel reveal true

11 hydrogen bonds found  

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> hbonds sel reveal true

43 hydrogen bonds found  

> select clear

Drag select of 5 residues  

> show sel atoms

> hbonds sel reveal true

8 hydrogen bonds found  

> ui mousemode right distance

> ui mousemode right select

> select clear

> ui mousemode right distance

> distance #2/A:54@OH #2/B:36@SD

Distance between BFT_Minibinder_3.pdb #2/A TYR 54 OH and /B MET 36 SD: 3.392Å  

> hide #!5 models

> hide #5.1 models

> hide #4 models

> ui mousemode right select

Drag select of 1 residues  

> hide sel cartoons

> select #2/B:56

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #2/B:57@C

1 atom, 1 residue, 1 model selected  

> show sel cartoons

> show sel atoms

> select #2/B:57

8 atoms, 7 bonds, 1 residue, 1 model selected  
Drag select of 2 residues  

> show sel atoms

> select #2/B:56

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/B:57

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

Populating font family aliases took 149 ms. Replace uses of missing font
family ""Times"" with one that exists to avoid this cost.  

> swapaa interactive sel THR rotLib Dunbrack

BFT_Minibinder_3.pdb #2/B THR 57: phi -136.0, psi none trans  
Changed 12 bond radii  

> swapaa #!2/B:57 THR criteria 3 rotLib Dunbrack retain false

Using Dunbrack library  
BFT_Minibinder_3.pdb #!2/B THR 57: phi -136.0, psi none trans  
Applying THR rotamer (chi angles: -173.3) to BFT_Minibinder_3.pdb #!2/B THR 57  

> select clear

> ui mousemode right distance

> distance #2/A:35@OD1 #2/B:57@OG1

Distance between BFT_Minibinder_3.pdb #2/A ASN 35 OD1 and /B THR 57 OG1:
3.186Å  

> ui mousemode right select

> select #2/B:57

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> ui mousemode right distance

> distance #2/A:44@NZ #2/B:57@OXT

Distance between BFT_Minibinder_3.pdb #2/A LYS 44 NZ and /B THR 57 OXT: 2.213Å  

> distance #2/A:44@NZ #2/B:57@OXT

Distance already exists; modify distance properties with 'distance style'  

> show sel cartoons

> ui mousemode right select

> select clear

> show #4 models

> select #2/B:39

6 atoms, 5 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/B:46

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:32

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/B:31

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/A:53

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/A:53

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/A:31

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select clear

> select #2/B:33

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #2/B:47

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> hide #4 models

> ui tool show ""Side View""

> select #2/B:57

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> select clear

> select #2/A:44

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> select #2/A:35

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> select clear

> hide #2 cartoons

> undo

> hide #2 cartoons

> select clear

> ui mousemode right translate

> undo

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> ui mousemode right select

> select #2/B:57@CA

1 atom, 1 residue, 1 model selected  

> select #2/B:46

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:42

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:36

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/B:25

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select clear

> hide #2 cartoons

> select clear

Drag select of 17 atoms, 15 bonds  

> select clear

Drag select of 16 atoms, 14 bonds  
Drag select of 9 atoms, 8 bonds  
Drag select of 4 atoms, 4 bonds  
Drag select of 23 atoms, 21 bonds  
Drag select of 23 atoms, 22 bonds  

> select ~sel

6661 atoms, 6793 bonds, 16 pseudobonds, 849 residues, 8 models selected  

> hide sel

Drag select of 8 atoms, 7 bonds  
Drag select of 6 atoms, 5 bonds  
Drag select of 14 atoms, 12 bonds  

> show sel cartoons

> select clear

> select #2/A:35

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/MB03thr_bftasnlys.png width
> 1800 height 1800 supersample 4 transparentBackground true

Drag select of 19 atoms, 2 residues, 16 bonds  

> hide sel atoms

> show sel cartoons

> undo

> select clear

> hide #2 cartoons

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> show sel atoms

> show sel cartoons

> Sel #2/B :46,42,36,25

Unknown command: Sel #2/B :46,42,36,25  

> ael #2/B :46,42,36,25

Unknown command: ael #2/B :46,42,36,25  

> select #2/B :46,42,36,25

36 atoms, 33 bonds, 4 residues, 1 model selected  

> show sel atoms

> show sel cartoons

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  
Drag select of 39 atoms, 7 residues, 35 bonds  

> hide sel atoms

> hide sel cartoons

Drag select of 10 atoms, 2 residues, 8 bonds  
Drag select of 11 atoms, 2 residues, 9 bonds  

> hide sel atoms

> hide sel cartoons

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select #2/A:50

10 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> undo

> select #2/A:50

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A :51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel cartoons

Drag select of 2 residues  

> hide sel cartoons

> undo

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

Drag select of 1 atoms, 2 residues, 1 bonds  

> hide sel cartoons

> select clear

Drag select of 30 atoms, 1 residues, 31 bonds  

> hbonds sel reveal true

14 hydrogen bonds found  

> undo

> ~hbonds

> select clear

Drag select of 28 atoms, 1 residues, 30 bonds  
Drag select of 29 atoms, 1 residues, 31 bonds  
Drag select of 1 atoms, 1 bonds  

> select clear

Drag select of 4 atoms, 3 bonds  

> hide sel atoms

Drag select of 7 atoms, 6 bonds  
Drag select of 8 atoms, 6 bonds  

> hide sel atoms

Drag select of 3 atoms, 3 bonds  
Drag select of 4 atoms, 3 bonds  

> hide sel atoms

> select #2/A:51@CA

1 atom, 1 residue, 1 model selected  

> ~hbonds

> ui mousemode right distance

> distance #2/A:51@N #2/B:25@OH

Distance between BFT_Minibinder_3.pdb #2/A PHE 51 N and /B TYR 25 OH: 3.034Å  

> distance #2/A:50@N #2/B:25@OH

Distance between BFT_Minibinder_3.pdb #2/A HIS 50 N and /B TYR 25 OH: 4.527Å  

> ui mousemode right select

> select clear

Drag select of 14 atoms, 14 bonds  
Drag select of 16 atoms, 17 bonds  

> show sel cartoons

> select clear

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> hide sel cartoons

> hide sel atoms

> ui mousemode right distance

> distance #2/B:25@CD2 #2/A:50@CE1

Distance between BFT_Minibinder_3.pdb #2/B TYR 25 CD2 and /A HIS 50 CE1:
3.616Å  

> select ~sel & ##selected

1911 atoms, 1952 bonds, 6 pseudobonds, 243 residues, 2 models selected  

> select up

1913 atoms, 1952 bonds, 6 pseudobonds, 244 residues, 2 models selected  

> ui mousemode right select

> select clear

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/MB03tyr_bfthis.png width
> 1800 height 1800 supersample 4 transparentBackground true

Drag select of 16 atoms, 2 residues, 16 bonds  

> hide sel atoms

> hide sel cartoons

> show sel cartoons

> hide sel cartoons

> select clear

> select add #2

1922 atoms, 1963 bonds, 6 pseudobonds, 244 residues, 2 models selected  

> close #5

> show sel cartoons

> select clear

> select #2/B:57

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A :His

70 atoms, 70 bonds, 7 residues, 1 model selected  

> select #1/A @His

Nothing selected  

> select #2/A :His

60 atoms, 60 bonds, 6 residues, 1 model selected  

> select clear

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> show sel atoms

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> select clear

Drag select of 15 atoms, 29 residues, 13 bonds  

> show sel atoms

> select clear

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:57

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:54

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:15

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/B:42

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select clear

> hide #2 atoms

> hide #2 cartoons

> show #2/A:55,15

> show #2/A:55,15 cartoons

> show #2/B :42

> show #2/B :42 cartoons

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select clear

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/minibinder_bftinteractions.cxs

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/MB03asp_bftlysthr.png width
> 1800 height 1800 supersample 4 transparentBackground true

> hide #2 atoms

> show #2 cartoons

> select #2/A :35,44,51,54,15,50,55,53

76 atoms, 74 bonds, 8 residues, 1 model selected  

> show sel atoms

> select clear

> hbonds #2 reveal true

985 hydrogen bonds found  

> interfaces #2 & ~solvent

1 buried areas: A B 989  

> hide #2 atoms

> hide #2 cartoons

> show #2 cartoons

> ~hbonds

> hbonds #2 reveal true

985 hydrogen bonds found  

> select #2/B:46

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:53@C

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> hide sel cartoons

> ~hbonds

> select add #2

1922 atoms, 1963 bonds, 244 residues, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select #2/B:46

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> show sel cartoons

> select #2/A:53

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> interfaces #2 & ~solvent

1 buried areas: A B 989  

> select add #2

1922 atoms, 1963 bonds, 244 residues, 1 model selected  

> show sel cartoons

> hbonds sel reveal true

985 hydrogen bonds found  

> ~hbonds

> hide sel atoms

> undo

> show sel cartoons

> hide sel atoms

> show sel atoms

> select add #2

1922 atoms, 1963 bonds, 244 residues, 1 model selected  

> show sel cartoons

> show sel atoms

> hide sel atoms

> select #2/C

1 atom, 1 residue, 1 model selected  

> show sel surfaces

> hide sel atoms

> hide sel cartoons

> hide sel atoms

> select #2/C

1 atom, 1 residue, 1 model selected  

> hide sel atoms

Drag select of BFT_Minibinder_3.pdb_C SES surface, 25 of 44 triangles  

> select #2/C:1@ZN

1 atom, 1 residue, 1 model selected  

> hide sel

> hide /C

> select clear

Drag select of BFT_Minibinder_3.pdb_C SES surface, 22 of 44 triangles  

> select #2/C:1@ZN

1 atom, 1 residue, 1 model selected  

> delete sel

> interfaces #2 & ~solvent

1 buried areas: A B 989  

> select interfaces #2

Expected an objects specifier or a keyword  

> hide /B cartoons

Drag select of 144 atoms, 141 bonds  
Drag select of 146 atoms, 142 bonds  

> color sel red

> hide sel atoms

> show sel surfaces

> color sel red

> show #2/A surfaces

> select clear

> undo

> color sel green

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain #2/A

Alignment identifier is 2/A  

> select #2/A:49

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:49

11 atoms, 11 bonds, 1 residue, 1 model selected  

> color sel red

> select clear

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:101-102

17 atoms, 16 bonds, 2 residues, 1 model selected  

> select #2/A:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:49@O

1 atom, 1 residue, 1 model selected  

> select #2/A:66

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:66

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:64@CG

1 atom, 1 residue, 1 model selected  
Drag select of BFT_Minibinder_3.pdb_A SES surface, 36340 of 157062 triangles  
Drag select of BFT_Minibinder_3.pdb_A SES surface, 16801 of 157062 triangles  

> select #2/A:101@CD

1 atom, 1 residue, 1 model selected  

> select #2/A:101@O

1 atom, 1 residue, 1 model selected  
Drag select of BFT_Minibinder_3.pdb_A SES surface, 35472 of 157062 triangles  

> color sel purple

> select #2/A:49

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:49

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:66-67

18 atoms, 17 bonds, 2 residues, 1 model selected  

> select #2/A:66-67

18 atoms, 17 bonds, 2 residues, 1 model selected  

> select #2/A:66

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:66

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:101

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color #1/A :64

> color #1/A :64 purple

> color #2/A :64 purple

> select #2/A:108

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:108

11 atoms, 11 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:144

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select #2/A:144

4 atoms, 3 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:146

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:146

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:148-149

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #2/A:148-149

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #2/A:148

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:148

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:151-152

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #2/A:151-152

15 atoms, 14 bonds, 2 residues, 1 model selected  

> select #2/A:151

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:151

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:158-159

18 atoms, 18 bonds, 2 residues, 1 model selected  

> select #2/A:158-159

18 atoms, 18 bonds, 2 residues, 1 model selected  

> select #2/A:158

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:158

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel red\

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color sel red

> select #2/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:172

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:172

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:172

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:172-173

16 atoms, 15 bonds, 2 residues, 1 model selected  

> color sel red

> select #2/A:182

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #2/A:182

5 atoms, 4 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:59

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:59

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:64-65

13 atoms, 12 bonds, 2 residues, 1 model selected  

> select #2/A:64-65

13 atoms, 12 bonds, 2 residues, 1 model selected  

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:64-65

13 atoms, 12 bonds, 2 residues, 1 model selected  

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:63-64

12 atoms, 11 bonds, 2 residues, 1 model selected  

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:64

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:78

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:78

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:105

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:105

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:109

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:120

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:120

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:146

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:146

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:148

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:148

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:149

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:149

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:150

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:150

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:157

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #2/A:157

5 atoms, 4 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:159

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:159

11 atoms, 11 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:164-165

16 atoms, 16 bonds, 2 residues, 1 model selected  

> select #2/A:164-165

16 atoms, 16 bonds, 2 residues, 1 model selected  

> select #2/A:164-165

16 atoms, 16 bonds, 2 residues, 1 model selected  

> select #2/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:164

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #2/A:168

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:168

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:168

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:168

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel purple

> select #2/A:169

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:169

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel red

> select #2/A:172

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #2/A:172-173

16 atoms, 15 bonds, 2 residues, 1 model selected  

> select #2/A:182

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select #2/A:182

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select clear

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft_interactingresiduees_nonconservedresidues_nomb03.png
> width 1800 height 1638 supersample 4 transparentBackground true

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft_nonconservedresidues.png
> width 1800 height 1800 supersample 4 transparentBackground true

> hide #!2 surfaces

> undo

> show #!2 surfaces

> hide /B surfaces

> select #2/A:44@CD

1 atom, 1 residue, 1 model selected  

> select #2/A:35@CB

1 atom, 1 residue, 1 model selected  

> select #2/A:35@ND2

1 atom, 1 residue, 1 model selected  

> select #2/A:31@NE2

1 atom, 1 residue, 1 model selected  

> select #2/A:27@OG

1 atom, 1 residue, 1 model selected  

> hide sel surfaces

> select clear

> hide #!2 surfaces

> show #!2 cartoons

> select ~sel & ##selected

Nothing selected  

> hide /B cartoons

> select #2/A:23-38,43-45,65-78,80-82,99-101,134-142,168-178,182-184

468 atoms, 466 bonds, 62 residues, 1 model selected  

> select #2/A:7-15,47-55,89-94,104-106,122-126

263 atoms, 265 bonds, 32 residues, 1 model selected  
Drag select of 5 residues  

> select #2/A:51

11 atoms, 11 bonds, 1 residue, 1 model selected  

> select #2/A:51-63

102 atoms, 105 bonds, 13 residues, 1 model selected  

> select clear

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:50

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:50

10 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:50-61

102 atoms, 106 bonds, 12 residues, 1 model selected  

> select #2/A:56

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:50-56

62 atoms, 64 bonds, 7 residues, 1 model selected  

> select #2/A:7-15,47-55,89-94,104-106,122-126

263 atoms, 265 bonds, 32 residues, 1 model selected  

> select #2/A:55

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #2/A:50-55

55 atoms, 57 bonds, 6 residues, 1 model selected  

> select #2/A:10

12 atoms, 12 bonds, 1 residue, 1 model selected  

> select #2/A:15

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #2/A:23

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select add #2/A:27

13 atoms, 12 bonds, 2 residues, 2 models selected  

> select add #2/A:30

21 atoms, 19 bonds, 3 residues, 2 models selected  

> select add #2/A:31

30 atoms, 27 bonds, 4 residues, 2 models selected  

> select add #2/A:35

38 atoms, 34 bonds, 5 residues, 2 models selected  

> select #2/A:44

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #2/A:81

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:85

21 atoms, 20 bonds, 2 residues, 2 models selected  

> select clear

> select #2/A:44

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select add #2/A:35

17 atoms, 15 bonds, 2 residues, 2 models selected  

> select add #2/A:31

26 atoms, 23 bonds, 3 residues, 2 models selected  

> select add #2/A:30

34 atoms, 30 bonds, 4 residues, 2 models selected  

> select add #2/A:27

40 atoms, 35 bonds, 5 residues, 2 models selected  

> select add #2/A:23

47 atoms, 42 bonds, 6 residues, 2 models selected  

> select add #2/A:15

58 atoms, 52 bonds, 7 residues, 2 models selected  

> select add #2/A:81

67 atoms, 60 bonds, 8 residues, 2 models selected  

> select add #2/A:85

79 atoms, 72 bonds, 9 residues, 2 models selected  

> select add #2/A:10

91 atoms, 84 bonds, 10 residues, 2 models selected  
Drag select of 3 residues  

> select add #2/A:52

125 atoms, 90 bonds, 14 residues, 2 models selected  

> select add #2/A:51

136 atoms, 101 bonds, 15 residues, 2 models selected  

> select add #2/A:50

146 atoms, 111 bonds, 16 residues, 2 models selected  

> select ~sel

6537 atoms, 6658 bonds, 7 pseudobonds, 834 residues, 5 models selected  

> color sel purple

> select clear

> show /B

> color /B #EAAE11

> hide #!2 atoms

> show #!2 cartoons

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft-mb03_1.png width 1800
> height 1800 supersample 4 transparentBackground true

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft-mb03_2.png width 1800
> height 1800 supersample 4 transparentBackground true

> save /Users/poojasrinivas/Library/CloudStorage/OneDrive-
> UW/Desktop/mougouslab/hhmiepimeeting/josephstalk/bft-mb03_3.png width 1800
> height 1800 supersample 4 transparentBackground true

> select #2/A:81

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select clear

> interfaces #!2 & ~solvent

1 buried areas: A B 989  

> hbonds #!2 reveal true

986 hydrogen bonds found  

> undo

> select clear

> ~hbonds

> color #!2 byhetero

> color /A purple

> color #!2 byhetero

Drag select of 4 atoms, 4 bonds  

> show sel surfaces

> undo

> hide sel cartoons

> hide sel surfaces

> show sel cartoons

Drag select of 3 atoms, 3 bonds  

> show sel cartoons

Drag select of 4 atoms, 4 bonds  

> show sel cartoons

Drag select of 32 atoms, 1 residues, 29 bonds  

> show sel cartoons

Drag select of 11 atoms, 9 bonds  

> show sel cartoons

> select clear

Drag select of 5 atoms, 2 residues, 3 bonds  

> show sel cartoons

Drag select of 9 atoms, 3 residues, 5 bonds  

> select clear

> undo

> show sel atoms

> show #2/B cartoons

> select clear

Drag select of 7 atoms, 14 residues, 4 bonds  

> select clear

Drag select of 12 atoms, 15 residues, 9 bonds  

> show sel cartoons

> select clear

> ui mousemode right distance

> distance #2/B:56@OD1 #2/A:31@OE1

Distance between BFT_Minibinder_3.pdb #2/B ASN 56 OD1 and /A GLN 31 OE1:
4.367Å  

> distance #2/B:56@ND2 #2/A:31@NE2

Distance between BFT_Minibinder_3.pdb #2/B ASN 56 ND2 and /A GLN 31 NE2:
4.112Å  


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M2 Max
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac14,5
      Model Number: MPHG3LL/A
      Chip: Apple M2 Max
      Total Number of Cores: 12 (8 performance and 4 efficiency)
      Memory: 32 GB
      System Firmware Version: 11881.81.4
      OS Loader Version: 11881.81.4

Software:

    System Software Overview:

      System Version: macOS 15.3.2 (24D81)
      Kernel Version: Darwin 24.3.0
      Time since boot: 11 days, 22 hours, 44 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:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    Babel: 2.15.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.7
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.57.1
    ChimeraX-AtomicLibrary: 14.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.6
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.12.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.7
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.8
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.4
    ChimeraX-DiffPlot: 1.0
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    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: 1.1.10
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.2
    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: 2.1.3
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.0.3
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.17
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.5
    ChimeraX-PDB: 2.7.5
    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: 1.1.1
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.4.1
    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-Segmentations: 3.0.15
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.16.5
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.39.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.3
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.2.1
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.1
    decorator: 5.1.1
    docutils: 0.20.1
    executing: 2.0.1
    filelock: 3.13.4
    fonttools: 4.53.0
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.11.0
    html2text: 2024.2.26
    idna: 3.7
    ihm: 1.0
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.3
    jedi: 0.19.1
    jinja2: 3.1.4
    jupyter-client: 8.6.0
    jupyter-core: 5.7.2
    jupyterlab-widgets: 3.0.11
    kiwisolver: 1.4.5
    line-profiler: 4.1.2
    lxml: 5.2.1
    lz4: 4.3.3
    MarkupSafe: 2.1.5
    matplotlib: 3.8.4
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.0
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.3.0
    pip: 24.0
    pkginfo: 1.10.0
    platformdirs: 4.2.2
    prompt-toolkit: 3.0.47
    psutil: 5.9.8
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pygments: 2.17.2
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.1.2
    pyproject-hooks: 1.1.0
    PyQt6-commercial: 6.6.1
    PyQt6-Qt6: 6.6.3
    PyQt6-sip: 13.6.0
    PyQt6-WebEngine-commercial: 6.6.0
    PyQt6-WebEngine-Qt6: 6.6.3
    python-dateutil: 2.9.0.post0
    pytz: 2024.1
    pyzmq: 26.0.3
    qtconsole: 5.5.1
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.13.0
    setuptools: 69.5.1
    setuptools-scm: 8.0.4
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 7.2.6
    sphinx-autodoc-typehints: 2.0.1
    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: 0.6.3
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2024.1.30
    tinyarray: 1.2.4
    tornado: 6.4.1
    traitlets: 5.14.2
    typing-extensions: 4.12.2
    tzdata: 2024.1
    urllib3: 2.2.1
    wcwidth: 0.2.13
    webcolors: 1.13
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.11
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
