Opened 6 months ago

Closed 6 months ago

#17432 closed defect (duplicate)

Crash moving window between screens

Reported by: bicoid@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-15.5-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX.
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  "procRole" : "Foreground",
  "version" : 2,
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  "modelCode" : "Mac15,12",
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  "pid" : 5532,
  "translated" : false,
  "cpuType" : "ARM-64",
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  "bug_type" : "309",
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    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/graphics\/_graphics.cpython-311-darwin.so",
    "name" : "_graphics.cpython-311-darwin.so"
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    "arch" : "arm64",
    "base" : 6124503040,
    "size" : 475136,
    "uuid" : "0c6e9a11-e483-3d7d-a88f-8ad0507af167",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/mmcif\/mmcif.cpython-311-darwin.so",
    "name" : "mmcif.cpython-311-darwin.so"
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    "arch" : "arm64",
    "base" : 13636714496,
    "size" : 409600,
    "uuid" : "1ab8e5e2-c699-3efb-8f77-d375e3793c8f",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/mmcif\/_mmcif.cpython-311-darwin.so",
    "name" : "_mmcif.cpython-311-darwin.so"
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    "source" : "P",
    "arch" : "arm64",
    "base" : 6126387200,
    "size" : 147456,
    "uuid" : "1e310bc7-5f96-396b-816d-5b40a3dde12c",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/chimerax\/pdb\/_pdbio.cpython-311-darwin.so",
    "name" : "_pdbio.cpython-311-darwin.so"
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    "arch" : "arm64",
    "base" : 13904199680,
    "size" : 3817472,
    "uuid" : "579ef19c-6e85-36be-a566-c980f789fbc0",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/lxml\/etree.cpython-311-darwin.so",
    "name" : "etree.cpython-311-darwin.so"
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    "base" : 6122881024,
    "size" : 131072,
    "uuid" : "c8b24269-c8a2-3244-b044-b85c3449800d",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/lxml\/_elementpath.cpython-311-darwin.so",
    "name" : "_elementpath.cpython-311-darwin.so"
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    "base" : 13141852160,
    "size" : 32768,
    "uuid" : "8abbdcef-1901-3d4b-9e6b-a38214b79214",
    "path" : "\/Applications\/ChimeraX-1.9.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/PIL\/_imagingmath.cpython-311-darwin.so",
    "name" : "_imagingmath.cpython-311-darwin.so"
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  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 6509723648,
    "size" : 242676,
    "uuid" : "8e8e54d4-a45a-3971-8967-5d47d75b6b2f",
    "path" : "\/usr\/lib\/system\/libsystem_kernel.dylib",
    "name" : "libsystem_kernel.dylib"
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  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 6509969408,
    "size" : 51784,
    "uuid" : "de265edf-809c-386b-ae62-64e3f7ed964b",
    "path" : "\/usr\/lib\/system\/libsystem_pthread.dylib",
    "name" : "libsystem_pthread.dylib"
  },
  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 6508490752,
    "size" : 529520,
    "uuid" : "9b1765ee-0f9e-354a-8ef0-2b4dd9975035",
    "path" : "\/usr\/lib\/system\/libsystem_c.dylib",
    "name" : "libsystem_c.dylib"
  },
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    "source" : "P",
    "arch" : "arm64e",
    "base" : 6510219264,
    "size" : 31568,
    "uuid" : "c35a8e3b-8974-3acf-a41f-039d834f198c",
    "path" : "\/usr\/lib\/system\/libsystem_platform.dylib",
    "name" : "libsystem_platform.dylib"
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    "size" : 21566464,
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    "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit",
    "name" : "AppKit",
    "CFBundleVersion" : "2575.60.2"
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    "uuid" : "7e784dd1-c275-3489-9c7b-42983f8954ab",
    "path" : "\/usr\/lib\/dyld",
    "name" : "dyld"
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    "source" : "A",
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    "uuid" : "00000000-0000-0000-0000-000000000000"
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    "CFBundleVersion" : "3501"
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    "size" : 14586624,
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    "path" : "\/System\/Library\/Frameworks\/Foundation.framework\/Versions\/C\/Foundation",
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Log:
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/npd1/Desktop/CasXMax paper/Figure models/K610c.cxs"

Log from Fri Dec 20 14:41:34 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/R610b.cxs format session

Log from Thu Dec 19 14:32:51 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/R610a.cxs format session

Log from Thu Dec 19 09:27:48 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/R610.cxs

Log from Thu Dec 19 08:48:26 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/R610.cxs

Log from Thu Dec 19 08:17:31 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/K610.cxs

Log from Thu Dec 19 08:04:12 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/T26a.cxs

Log from Wed Dec 18 18:16:40 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open /Users/npd1/Desktop/T26.cxs format session

Log from Wed Dec 18 17:53:52 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/npd1/Desktop/Session 3a surfaces.cxs"

Log from Tue Dec 17 16:34:16 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/npd1/Desktop/Session 2.cxs"

Log from Tue Dec 17 15:14:27 2024UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/npd1/Desktop/CasX & CasY AF modeling/X2+X2MAX stateI & state
> II.cxs"

Log from Thu Nov 14 19:14:01 2024 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/npd1/Downloads/X2-Max 7WAY (state I).pdb"

X2-Max 7WAY (state I).pdb title:  
SWISS-MODEL SERVER (https://swissmodel.expasy.org) Untitled Project [more
info...]  
  
Chain information for X2-Max 7WAY (state I).pdb #1  
---  
Chain | Description  
D | No description available  
  

> open "/Users/npd1/Downloads/X2-Max 7WB0 (state III).pdb"

X2-Max 7WB0 (state III).pdb title:  
SWISS-MODEL SERVER (https://swissmodel.expasy.org) Untitled Project [more
info...]  
  
Chain information for X2-Max 7WB0 (state III).pdb #2  
---  
Chain | Description  
D | No description available  
  

> open "/Users/npd1/Downloads/X2-Max 7WAZ (state II).pdb"

X2-Max 7WAZ (state II).pdb title:  
SWISS-MODEL SERVER (https://swissmodel.expasy.org) Untitled Project [more
info...]  
  
Chain information for X2-Max 7WAZ (state II).pdb #3  
---  
Chain | Description  
A | No description available  
  

> ui tool show Matchmaker

> matchmaker #2-3 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 X2-Max 7WAY (state I).pdb, chain D (#1) with X2-Max 7WB0 (state
III).pdb, chain D (#2), sequence alignment score = 4510.1  
RMSD between 597 pruned atom pairs is 0.734 angstroms; (across all 975 pairs:
15.887)  
  
Matchmaker X2-Max 7WAY (state I).pdb, chain D (#1) with X2-Max 7WAZ (state
II).pdb, chain A (#3), sequence alignment score = 4935.5  
RMSD between 656 pruned atom pairs is 0.994 angstroms; (across all 975 pairs:
4.408)  
  

> select /D:26,610,808

66 atoms, 60 bonds, 6 residues, 2 models selected  

> show sel atoms

> select /D:26,610,808

66 atoms, 60 bonds, 6 residues, 2 models selected  

> color sel red

> hide #1 models

> hide #2 models

> show #2 models

> hide #2 models

> show #2 models

> show #1 models

> hide #2 models

> show #2 models

> hide #3 models

> hide #2 models

> hide #1 models

> show #3 models

> select add #3

7987 atoms, 8141 bonds, 981 residues, 3 models selected  

> select add #2

15875 atoms, 16192 bonds, 1953 residues, 3 models selected  

> select add #1

23763 atoms, 24243 bonds, 2925 residues, 3 models selected  

> select subtract #1

15842 atoms, 16162 bonds, 1950 residues, 2 models selected  

> select subtract #2

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select /D:26,610,808

66 atoms, 60 bonds, 6 residues, 2 models selected  

> select /A:26,610,808

33 atoms, 30 bonds, 3 residues, 1 model selected  

> show sel atoms

> color sel red

> show #1 models

> show #2 models

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> select clear

> open "/Users/npd1/Library/CloudStorage/Dropbox/Alphafold/Structures/CasX2
> (cryoEM)/7way (CasX2 state I).pdb"

7way (CasX2 state I).pdb title:  
Plmcasx-SGRNAV1-dsDNA ternary complex At NTS loading state [more info...]  
  
Chain information for 7way (CasX2 state I).pdb #4  
---  
Chain | Description  
A | dplmcasx  
B | DNA (33-mer)  
C | DNA (27-mer)  
D | RNA  
  

> open "/Users/npd1/Library/CloudStorage/Dropbox/Alphafold/Structures/CasX2
> (cryoEM)/7way (CasX2 state I).pdb"

7way (CasX2 state I).pdb title:  
Plmcasx-SGRNAV1-dsDNA ternary complex At NTS loading state [more info...]  
  
Chain information for 7way (CasX2 state I).pdb #5  
---  
Chain | Description  
A | dplmcasx  
B | DNA (33-mer)  
C | DNA (27-mer)  
D | RNA  
  

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> open "/Users/npd1/Library/CloudStorage/Dropbox/Alphafold/Structures/CasX2
> (cryoEM)/7waz (CasX2 state II.cif"

7waz (CasX2 state II.cif title:  
PlmCasX-sgRNAv1-dsDNA ternary complex at ts loading state [more info...]  
  
Chain information for 7waz (CasX2 state II.cif #6  
---  
Chain | Description | UniProt  
A | dPlmCasX | A0A1G3BXR9_9BACT 1-978  
B | TS-DNA |   
C | NTS-DNA |   
D | RNA (115-MER) |   
  

> open "/Users/npd1/Library/CloudStorage/Dropbox/Alphafold/Structures/CasX2
> (cryoEM)/7wb0 (CasX2 state III).cif"

7wb0 (CasX2 state III).cif title:  
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state with flexible H2
domain [more info...]  
  
Chain information for 7wb0 (CasX2 state III).cif #7  
---  
Chain | Description | UniProt  
A | dPlmCasX | A0A1G3BXR9_9BACT 1-978  
B | TS-DNA |   
C | NTS-DNA |   
D | RNA (115-MER) |   
  

> ui tool show Matchmaker

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> matchmaker #1-3#!4,6-7 to #5

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 7way (CasX2 state I).pdb, chain A (#5) with X2-Max 7WAY (state
I).pdb, chain D (#1), sequence alignment score = 5017.3  
RMSD between 960 pruned atom pairs is 0.065 angstroms; (across all 960 pairs:
0.065)  
  
Matchmaker 7way (CasX2 state I).pdb, chain A (#5) with X2-Max 7WB0 (state
III).pdb, chain D (#2), sequence alignment score = 4468.3  
RMSD between 593 pruned atom pairs is 0.731 angstroms; (across all 960 pairs:
15.989)  
  
Matchmaker 7way (CasX2 state I).pdb, chain A (#5) with X2-Max 7WAZ (state
II).pdb, chain A (#3), sequence alignment score = 4885.9  
RMSD between 652 pruned atom pairs is 0.994 angstroms; (across all 960 pairs:
4.406)  
  
Matchmaker 7way (CasX2 state I).pdb, chain A (#5) with 7way (CasX2 state
I).pdb, chain A (#4), sequence alignment score = 5089.5  
RMSD between 960 pruned atom pairs is 0.000 angstroms; (across all 960 pairs:
0.000)  
  
Matchmaker 7way (CasX2 state I).pdb, chain A (#5) with 7waz (CasX2 state
II.cif, chain A (#6), sequence alignment score = 4878.9  
RMSD between 649 pruned atom pairs is 1.008 angstroms; (across all 952 pairs:
4.384)  
  
Matchmaker 7way (CasX2 state I).pdb, chain A (#5) with 7wb0 (CasX2 state
III).cif, chain A (#7), sequence alignment score = 4690.5  
RMSD between 592 pruned atom pairs is 0.737 angstroms; (across all 797 pairs:
3.068)  
  

> hide #!5 models

> hide #!6 models

> hide #!7 models

> sequence chain #4/B

Alignment identifier is 4/B  

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> nucleotides #1-3#!4 fill

> style nucleic & #1-3#!4 stick

Changed 3667 atom styles  

> color #1-4 white

> undo

> select #7/B:-2-30

674 atoms, 753 bonds, 33 residues, 1 model selected  

> select #7/B:-2-30

674 atoms, 753 bonds, 33 residues, 1 model selected  

> select #7/B:-2-30

674 atoms, 753 bonds, 33 residues, 1 model selected  

> select #7/B:-2-30

674 atoms, 753 bonds, 33 residues, 1 model selected  

> nucleotides #1-3#!4 fill

> style nucleic & #1-3#!4 stick

Changed 3667 atom styles  

> color #1-4 light gray

> undo

> color #4 #517a53ff

> color #4 #2851e4ff

> select add #4

12127 atoms, 12794 bonds, 3 pseudobonds, 1168 residues, 3 models selected  

> select add #7

21549 atoms, 22694 bonds, 165 pseudobonds, 2107 residues, 5 models selected  

> select subtract #7

11453 atoms, 12041 bonds, 3 pseudobonds, 1135 residues, 2 models selected  

> select subtract #4

Nothing selected  

> select add #4

11453 atoms, 12041 bonds, 3 pseudobonds, 1135 residues, 2 models selected  

> color #3 #fb001dff

> color #2 #1bce0eff

> color #3 #1bce0eff

> color #1 #1bce0eff

> select clear

> select /A:26,610,808

133 atoms, 118 bonds, 15 residues, 5 models selected  

> show sel & #3#!4 atoms

> color (#3#!4 & sel) red

> select /D:26,610,808

158 atoms, 160 bonds, 10 residues, 6 models selected  

> color (#1-2#!4 & sel) red

> select #4/D:26

23 atoms, 25 bonds, 1 residue, 1 model selected  

> color sel blue

> select #6/D:1-122

2446 atoms, 2734 bonds, 78 pseudobonds, 115 residues, 3 models selected  

> select #6/D:1-122

2446 atoms, 2734 bonds, 78 pseudobonds, 115 residues, 3 models selected  

> select #6/C:1-12

245 atoms, 273 bonds, 12 residues, 1 model selected  

> select #6/B:1-30

614 atoms, 686 bonds, 30 residues, 1 model selected  

> select #4/D:1-122

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> select #4/C:1-27

547 atoms, 611 bonds, 27 residues, 1 model selected  

> select #4/B:-2-30

674 atoms, 753 bonds, 33 residues, 1 model selected  

> show sel atoms

[Repeated 1 time(s)]

> hide sel cartoons

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/C:11@O2

2 atoms, 2 residues, 2 models selected  

> ui tool show H-Bonds

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> ui tool show Distances

> distance #1/D:26@NH2 #4/C:11@O2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and 7way (CasX2
state I).pdb #4/C DT 11 O2: 4.427Å  

> select #4/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 1 model selected  

> distance #4/A:610@NZ #4/B:22@OP1

Distance between 7way (CasX2 state I).pdb #4/A LYS 610 NZ and /B DG 22 OP1:
4.707Å  

> select #4/C:25

19 atoms, 20 bonds, 1 residue, 1 model selected  

> select #4/D

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> color (#!4 & sel) light gray

> color (#!4 & sel) cornflower blue

> select #3/B

Nothing selected  

> select #4/B

674 atoms, 753 bonds, 33 residues, 1 model selected  

> color sel light gray

> select #4/C

547 atoms, 611 bonds, 27 residues, 1 model selected  

> show sel atoms

> show sel cartoons

> hide sel cartoons

> nucleotides sel fill

> style nucleic & sel stick

Changed 547 atom styles  

> color sel gray

> select clear

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select #4/B:20@OP1

1 atom, 1 residue, 1 model selected  

> select add #1/D:26@NH2

2 atoms, 2 residues, 2 models selected  

> distance #4/B:20@OP1 #1/D:26@NH2

Distance between 7way (CasX2 state I).pdb #4/B DA 20 OP1 and X2-Max 7WAY
(state I).pdb #1/D ARG 26 NH2: 6.506Å  

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #4/B:21@OP1

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DT 21 OP1: 5.251Å  

> select #4/D

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> hide sel cartoons

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #3/A:26@NH2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #3/A:26@NH2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and X2-Max 7WAZ
(state II).pdb #3/A ARG 26 NH2: 1.454Å  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #4/B:21@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DT 21 OP1: 4.148Å  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:20@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #4/B:20@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DA 20 OP1: 5.079Å  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:20@OP2

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #4/B:20@OP2

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DA 20 OP2: 5.657Å  

> hide #3 models

> show #3 models

> hide #2 models

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/C:11@O2

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #4/C:11@O2

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7way (CasX2
state I).pdb #4/C DT 11 O2: 4.483Å  

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #4/B:21@OP2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DT 21 OP2: 5.750Å  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #4/B:21@OP2

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DT 21 OP2: 5.141Å  

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:20@OP2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #4/B:20@OP2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and 7way (CasX2
state I).pdb #4/B DA 20 OP2: 7.074Å  

> hide #3 models

> show #3 models

> hide #1 models

> show #1 models

> select #3/A:610@NH1

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:610@NH1 #4/B:22@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 610 NH1 and 7way (CasX2
state I).pdb #4/B DG 22 OP1: 7.736Å  

> select #1/D:610@NH1

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1/D:610@NH1 #4/B:22@OP1

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 610 NH1 and 7way (CasX2
state I).pdb #4/B DG 22 OP1: 8.474Å  

> select #4/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP2

2 atoms, 2 residues, 1 model selected  

> distance #4/A:610@NZ #4/B:21@OP2

Distance between 7way (CasX2 state I).pdb #4/A LYS 610 NZ and /B DT 21 OP2:
4.599Å  

> hide #!4 models

> show #!4 models

> hide #4.1 models

> show #4.1 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hbonds sel reveal true

Atom specifier selects no atoms  

> hide #3 models

> hide #1 models

> select #4/B:7-10

79 atoms, 86 bonds, 4 residues, 1 model selected  

> select #4/C:8-11

80 atoms, 88 bonds, 4 residues, 1 model selected  

> color sel orange

> select clear

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> select #1/D:610@NH1

1 atom, 1 residue, 1 model selected  

> select add #4/B:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:610@NH1 #4/B:21@OP2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 610 NH1 and 7way (CasX2
state I).pdb #4/B DT 21 OP2: 8.981Å  

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #!4 models

> show #!4 models

> hide #1 models

> show #1 models

> hide #!4 models

> show #2 models

> hide #1 models

> hide #2 models

> show #!4 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!4 models

> show #2 models

> hide #2 models

> show #2 models

> select #2/A:26,610,808

Nothing selected  

> select #2/D:26,610,808

33 atoms, 30 bonds, 3 residues, 1 model selected  

> select #6/A:26,610,808

25 atoms, 22 bonds, 3 residues, 1 model selected  

> show sel atoms

> color sel lime

> color #2 #c1d228ff

> select #6/B,C,D

3305 atoms, 3693 bonds, 130 pseudobonds, 157 residues, 3 models selected  

> show sel atoms

> nucleotides sel fill

> style nucleic & sel stick

Changed 3305 atom styles  

> hide sel cartoons

> select #6/B

614 atoms, 686 bonds, 30 residues, 1 model selected  

> color sel light gray

> select #6/C

245 atoms, 273 bonds, 12 residues, 1 model selected  

> color sel dim gray

> select #6/D

2446 atoms, 2734 bonds, 78 pseudobonds, 115 residues, 3 models selected  

> color (#!6 & sel) blue

> select #2/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select #2/D:26,610,808

33 atoms, 30 bonds, 3 residues, 1 model selected  

> color sel red

> select #2/D:610@NH1

1 atom, 1 residue, 1 model selected  

> select add #6/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #2/D:610@NH1 #6/B:22@OP1

Distance between X2-Max 7WB0 (state III).pdb #2/D ARG 610 NH1 and 7waz (CasX2
state II.cif #6/B DG 22 OP1: 7.671Å  

> select add #6/A:610@NZ

3 atoms, 3 residues, 2 models selected  

> select #6/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #2/D:610@NH1

2 atoms, 2 residues, 2 models selected  

> distance #6/A:610@NZ #2/D:610@NH1

Distance between 7waz (CasX2 state II.cif #6/A LYS 610 NZ and X2-Max 7WB0
(state III).pdb #2/D ARG 610 NH1: 4.628Å  

> select subtract #6/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select #6/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #6/B:22@OP1

2 atoms, 2 residues, 1 model selected  

> distance #6/A:610@NZ #6/B:22@OP1

Distance between 7waz (CasX2 state II.cif #6/A LYS 610 NZ and /B DG 22 OP1:
6.773Å  

> select #6/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #6/B:21@OP2

2 atoms, 2 residues, 1 model selected  

> distance #6/A:610@NZ #6/B:21@OP2

Distance between 7waz (CasX2 state II.cif #6/A LYS 610 NZ and /B DT 21 OP2:
4.311Å  

> select add #2/D:610@NH1

3 atoms, 3 residues, 2 models selected  

> select #2/D:610@NH1

1 atom, 1 residue, 1 model selected  

> select add #6/B:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #2/D:610@NH1 #6/B:21@OP2

Distance between X2-Max 7WB0 (state III).pdb #2/D ARG 610 NH1 and 7waz (CasX2
state II.cif #6/B DT 21 OP2: 8.703Å  

> select #2/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select #6/B:21@OP1

1 atom, 1 residue, 1 model selected  

> select add #2/D:26@NH2

2 atoms, 2 residues, 2 models selected  

> distance #6/B:21@OP1 #2/D:26@NH2

Distance between 7waz (CasX2 state II.cif #6/B DT 21 OP1 and X2-Max 7WB0
(state III).pdb #2/D ARG 26 NH2: 4.733Å  
Drag select of 3 residues, 6 atoms, 5 bonds, 3 shapes  

> select #6/B:20@OP1

1 atom, 1 residue, 1 model selected  

> select add #2/D:26@NH2

2 atoms, 2 residues, 2 models selected  

> distance #6/B:20@OP1 #2/D:26@NH2

Distance between 7waz (CasX2 state II.cif #6/B DA 20 OP1 and X2-Max 7WB0
(state III).pdb #2/D ARG 26 NH2: 4.695Å  

> select #2/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select #2/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/C:12@O2

2 atoms, 2 residues, 2 models selected  

> distance #2/D:26@NH2 #6/C:12@O2

Distance between X2-Max 7WB0 (state III).pdb #2/D ARG 26 NH2 and 7waz (CasX2
state II.cif #6/C DC 12 O2: 4.743Å  

> select #2/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/B:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #2/D:26@NH2 #6/B:21@OP2

Distance between X2-Max 7WB0 (state III).pdb #2/D ARG 26 NH2 and 7waz (CasX2
state II.cif #6/B DT 21 OP2: 6.180Å  

> hide #!6 models

> show #1 models

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #2/D:26@NH2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #2/D:26@NH2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and X2-Max 7WB0
(state III).pdb #2/D ARG 26 NH2: 0.743Å  

> hide #1 models

> show #!6 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> select #6/C:9-12

79 atoms, 87 bonds, 4 residues, 1 model selected  

> color sel orange

> show #!5 models

> hide #2 models

> hide #!6 models

> show #!6 models

> hide #!5 models

> show #!4 models

> hide #!6 models

> select #4/C:7-10

80 atoms, 88 bonds, 4 residues, 1 model selected  

> color sel orange

> select #4/C:11

20 atoms, 21 bonds, 1 residue, 1 model selected  

> color sel blue

> show #!6 models

> hide #!6 models

> show #!5 models

> hide #!5 models

> show #!6 models

> select #6/C:11

20 atoms, 21 bonds, 1 residue, 1 model selected  

> color sel medium blue

> select #6/C:7-10

80 atoms, 88 bonds, 4 residues, 1 model selected  

> color sel orange

> hide #!6 models

> show #1 models

> hide #1 models

> show #3 models

> hide #!4 models

> show #!6 models

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/B:21@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #6/B:21@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7waz (CasX2
state II.cif #6/B DT 21 OP1: 4.033Å  

> select #3/A:26@NH1

1 atom, 1 residue, 1 model selected  

> select add #6/B:21@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH1 #6/B:21@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH1 and 7waz (CasX2
state II.cif #6/B DT 21 OP1: 4.895Å  

> select clear

Drag select of 1 atoms  

> select add #6/C:12@O2

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #6/C:12@O2

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7waz (CasX2
state II.cif #6/C DC 12 O2: 4.603Å  

> select #3/A:440

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #6/B:19@O3'

1 atom, 1 residue, 1 model selected  

> select #6/B:20@OP1

1 atom, 1 residue, 1 model selected  
Exactly two atoms must be selected!  

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/B:20@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #6/B:20@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7waz (CasX2
state II.cif #6/B DA 20 OP1: 3.853Å  

> select #6/C:11

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #6/C:12

19 atoms, 20 bonds, 1 residue, 1 model selected  

> color sel medium blue

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!6 models

> hide #3 models

> show #3 models

> show #!5 models

> hide #!5 models

> hide #3 models

> hide #!4 models

> show #!4 models

> show #!6 models

> hide #!4 models

> show #3 models

> show #1 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!6 models

> hide #!5 models

> hide #3 models

> hide #1 models

> show #!4 models

> show #!6 models

> select /C

1886 atoms, 2106 bonds, 93 residues, 4 models selected  

> select #4/C:1-27

547 atoms, 611 bonds, 27 residues, 1 model selected  

> select #6/B:1-30

614 atoms, 686 bonds, 30 residues, 1 model selected  

> select #6/C:1-12

245 atoms, 273 bonds, 12 residues, 1 model selected  

> hide #!4 models

> show #2 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #2 models

> show #!4 models

> hide #!6 models

> hide #!4 models

> show #3 models

> hide #1 models

> show #!6 models

> select #3/A:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/C:11@O2

2 atoms, 2 residues, 2 models selected  

> distance #3/A:26@NH2 #6/C:11@O2

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 26 NH2 and 7waz (CasX2
state II.cif #6/C DT 11 O2: 8.318Å  

> hide #3 models

> show #3 models

> hide #3 models

> show #1 models

> hide #!6 models

> show #!4 models

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/C:12@O2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:26@NH2 #4/C:12@O2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 26 NH2 and 7way (CasX2
state I).pdb #4/C DC 12 O2: 7.267Å  

> hide #!4 models

> hide #1 models

> show #1 models

> show #!4 models

> hide #1 models

> show #3 models

> hide #!4 models

> show #!6 models

> hide #!6 models

> show #!4 models

> hide #3 models

> show #1 models

> select #4/C:21@OP2

1 atom, 1 residue, 1 model selected  

> select add #1/D:808@NH1

2 atoms, 2 residues, 2 models selected  

> distance #4/C:21@OP2 #1/D:808@NH1

Distance between 7way (CasX2 state I).pdb #4/C DT 21 OP2 and X2-Max 7WAY
(state I).pdb #1/D ARG 808 NH1: 0.876Å  

> select #1/D:808@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/C:21@OP2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:808@NH2 #4/C:21@OP2

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 808 NH2 and 7way (CasX2
state I).pdb #4/C DT 21 OP2: 2.158Å  

> select #4/A:808@NZ

1 atom, 1 residue, 1 model selected  

> select add #4/C:21@OP2

2 atoms, 2 residues, 1 model selected  

> distance #4/A:808@NZ #4/C:21@OP2

Distance between 7way (CasX2 state I).pdb #4/A LYS 808 NZ and /C DT 21 OP2:
3.776Å  

> show #3 models

> hide #1 models

> hide #!4 models

> show #!6 models

> select #6/A:808@NZ

1 atom, 1 residue, 1 model selected  

> select add #6/B:3@OP1

2 atoms, 2 residues, 1 model selected  

> distance #6/A:808@NZ #6/B:3@OP1

Distance between 7waz (CasX2 state II.cif #6/A LYS 808 NZ and /B DT 3 OP1:
2.855Å  

> select add #3/A:808@NH2

3 atoms, 3 residues, 2 models selected  

> select #3/A:808@NH2

1 atom, 1 residue, 1 model selected  

> select add #6/B:3@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:808@NH2 #6/B:3@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 808 NH2 and 7waz (CasX2
state II.cif #6/B DT 3 OP1: 3.209Å  

> select #6/B

614 atoms, 686 bonds, 30 residues, 1 model selected  

> color sel hot pink

> ui tool show "Show Sequence Viewer"

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> sequence chain #6/D

Alignment identifier is 6/D  

> select #4/B:-2

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #4/B:-2

20 atoms, 21 bonds, 1 residue, 1 model selected  

Window position QRect(1985,942 575x86) outside any known screen, using primary
screen  

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

[Repeated 1 time(s)]

> select #6/D:122

22 atoms, 24 bonds, 1 residue, 1 model selected  

> select #6/D:110-122

282 atoms, 317 bonds, 13 residues, 1 model selected  

> select #6/D:111-122

259 atoms, 291 bonds, 12 residues, 1 model selected  

> select #6/D:1

23 atoms, 25 bonds, 1 residue, 1 model selected  

> select #6/D

2446 atoms, 2734 bonds, 78 pseudobonds, 115 residues, 3 models selected  

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

[Repeated 4 time(s)]

> hide #3 models

> hide #!6 models

> show #1 models

> show #!4 models

> hide #1 models

> show #1 models

> hide #!4 models

> hide #1 models

> show #3 models

> show #!6 models

> select #3/A:808@NH1

1 atom, 1 residue, 1 model selected  

> select add #6/B:3@OP1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:808@NH1 #6/B:3@OP1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 808 NH1 and 7waz (CasX2
state II.cif #6/B DT 3 OP1: 1.752Å  

> save "/Users/npd1/Desktop/X2+X2MAX stateI & state II.cxs"

——— End of log from Thu Nov 14 19:14:01 2024 ———

opened ChimeraX session  

> show #1 models

> show #2 models

> show #!4 models

> show #!5 models

> show #!7 models

> select add #1

7923 atoms, 8081 bonds, 977 residues, 3 models selected  

> select add #2

15844 atoms, 16162 bonds, 1952 residues, 4 models selected  

> select add #3

23764 atoms, 24243 bonds, 2926 residues, 4 models selected  

> select add #4

35217 atoms, 36284 bonds, 6 pseudobonds, 4061 residues, 7 models selected  

> select add #5

46670 atoms, 48325 bonds, 9 pseudobonds, 5196 residues, 9 models selected  

> select add #6

57703 atoms, 59902 bonds, 145 pseudobonds, 6304 residues, 11 models selected  

> select add #7

67799 atoms, 70555 bonds, 307 pseudobonds, 7276 residues, 14 models selected  

> select add #8

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 15 models selected  

> select subtract #8

67799 atoms, 70555 bonds, 301 pseudobonds, 7276 residues, 13 models selected  

> select all

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 15 models selected  

> color #1 skyblue

> select #1,2,3,4,5,6,7

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 14 models selected  

> select #1

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select #1/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select #2/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> hide #1 models

> hide #3 models

> hide #!4 models

> hide #!5 models

> hide #!6 models

> hide #!7 models

> hide #!8 models

> select /D:4-978

25362 atoms, 26802 bonds, 146 pseudobonds, 2398 residues, 13 models selected  

> select all

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 15 models selected  

> show #1 models

> show #3 models

> show #!4 models

> show #!5 models

> show #!6 models

> show #!7 models

> select all

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 15 models selected  

> select all

67799 atoms, 70555 bonds, 339 pseudobonds, 7276 residues, 15 models selected  

> color (#1-3#!4-7 & sel) cornflower blue

> lighting flat

> lighting full

> lighting soft

> lighting simple

> lighting soft

> set bgColor white

> nucleotides sel atoms

> style nucleic & sel stick

Changed 14306 atom styles  

> nucleotides sel atoms

> style nucleic & sel stick

Changed 14306 atom styles  

> hide #2 models

> hide #3 models

> show #3 models

> hide #3 models

> hide #!4 models

> hide #!5 models

> hide #!6 models

> hide #!7 models

> select #1/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #1 models

> show #2 models

> select #2/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #2 models

> show #3 models

> select #3/A:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #3 models

> show #!4 models

> select #4/A:808

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #!4 models

> show #!5 models

> select #5/A:808

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel cartoons

> show sel atoms

> color sel byhetero

> hide #!5 models

> show #!6 models

> select #6/A:808

9 atoms, 8 bonds, 1 residue, 1 model selected  

> color sel byhetero

> hide #!6 models

> show #!7 models

> select #7/A:808

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> show #!4 models

> show #!5 models

> show #!6 models

> select #4,5,6,7/B

2636 atoms, 2945 bonds, 129 residues, 4 models selected  

> color sel light gray

> color sel byhetero

> nucleotides sel slab

> style nucleic & sel stick

Changed 2636 atom styles  

> nucleotides sel slab

> style nucleic & sel stick

Changed 2636 atom styles  

> nucleotides sel slab

> style nucleic & sel stick

Changed 2636 atom styles  

> hide sel atoms

[Repeated 1 time(s)]

> show sel atoms

> nucleotides sel stubs

> nucleotides sel ladder

> nucleotides sel tube/slab shape muffler

> show sel atoms

> nucleotides sel slab

> style nucleic & sel stick

Changed 2636 atom styles  

> nucleotides sel tube/slab shape box

> select #4,5,6,7/C

1886 atoms, 2106 bonds, 93 residues, 4 models selected  

> nucleotides sel tube/slab shape box

> color sel dark gray

> color sel dim gray

> show sel atoms

[Repeated 2 time(s)]

> color sel byhetero

> nucleotides sel tube/slab shape box

> hide sel cartoons

> select #4,5,6,7/D

9784 atoms, 10936 bonds, 165 pseudobonds, 460 residues, 10 models selected  

> hide sel cartoons

> hide sel atoms

[Repeated 1 time(s)]

> select #4,5,6,7/C

1886 atoms, 2106 bonds, 93 residues, 4 models selected  

> select #4,5,6,7/C

1886 atoms, 2106 bonds, 93 residues, 4 models selected  

> select #4,5,6,7/B

2636 atoms, 2945 bonds, 129 residues, 4 models selected  

> hide sel cartoons

> select clear

> select #1/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show #3 models

> show #2 models

> show #1 models

> hide #2 models

> hide #!7 models

> hide #!5 models

> save "/Users/npd1/Desktop/Session 1.cxs"

> select #1,3,4,6

38329 atoms, 39780 bonds, 166 pseudobonds, 4194 residues, 8 models selected  

> cartoon style (#1,3#!4,6 & sel) modeHelix tube sides 20

> cartoon style (#1,3#!4,6 & sel & coil) xsection oval

> cartoon style (#1,3#!4,6 & sel) xsection barbell modeHelix default

> cartoon style (#1,3#!4,6 & sel) modeHelix tube sides 20

> select #6/B:1-30

614 atoms, 686 bonds, 30 residues, 1 model selected  

> select #6/C:1-12

245 atoms, 273 bonds, 12 residues, 1 model selected  

> select #6/B:1-30

614 atoms, 686 bonds, 30 residues, 1 model selected  

> select #1,3,4,6/B

1288 atoms, 1439 bonds, 63 residues, 2 models selected  

> color sel white

> color sel byhetero

> select clear

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true intensity 0.5

> lighting shadows false

> select #1/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> hide #3 models

> hide #!4 models

> hide #!6 models

> show #!6 models

> show #!4 models

> show #3 models

> save "/Users/npd1/Desktop/Session 2.cxs"

——— End of log from Tue Dec 17 15:14:27 2024 ———

opened ChimeraX session  

> select #4,6/B,C,D

6972 atoms, 7791 bonds, 131 pseudobonds, 332 residues, 5 models selected  

> hide sel cartoons

> hide sel atoms

> select #4,6/A

15515 atoms, 15827 bonds, 5 pseudobonds, 1912 residues, 4 models selected  

> hide sel atoms

> show sel surfaces

[Repeated 1 time(s)]

> hide sel cartoons

[Repeated 2 time(s)]

> select #1,3/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> hide sel cartoons

> hide sel atoms

> show sel surfaces

> select #1/D:119@CA

1 atom, 1 residue, 1 model selected  

> hide #!1 models

> hide #!4 models

> hide #!6 models

> select #3/D

Nothing selected  

> select #3/A

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> hide sel cartoons

> show sel surfaces

> hide sel atoms

> show #!1 models

> show #!4 models

> show #!6 models

> select #3,4,6/A

23436 atoms, 23908 bonds, 5 pseudobonds, 2887 residues, 5 models selected  

> select #3,4,6/A:768,856,764,904955

99 atoms, 90 bonds, 9 residues, 3 models selected  

> save "/Users/npd1/Desktop/Session 3 surfaces.cxs"

> select #3,4,6/A:768,856,764,904,955

159 atoms, 144 bonds, 15 residues, 3 models selected  

> select #3,4,6/A:768,856,764,904,955,898

186 atoms, 168 bonds, 18 residues, 3 models selected  

> color (#!3-4,6 & sel) red

> select #1/D:768,856,764,904,955,898

62 atoms, 56 bonds, 6 residues, 1 model selected  

> color (#!1 & sel) red

> select #1/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) hot pink

> select #3,4,6/A:808

29 atoms, 26 bonds, 3 residues, 3 models selected  

> select #3,4,6/A:808

29 atoms, 26 bonds, 3 residues, 3 models selected  

> color (#!3-4,6 & sel) magenta

> save "/Users/npd1/Desktop/Session 3a surfaces.cxs"

——— End of log from Tue Dec 17 16:34:16 2024 ———

opened ChimeraX session  

> select #3,4,6/A:191-340

3522 atoms, 3597 bonds, 450 residues, 3 models selected  

> hide sel surfaces

> select #1/D:191-340

1174 atoms, 1199 bonds, 150 residues, 1 model selected  

> hide sel surfaces

> hide #!3 models

> hide #!6 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!3 models

> show #!6 models

> select #3,4,6/A:808

29 atoms, 26 bonds, 3 residues, 3 models selected  

> color (#!3-4,6 & sel) magenta

> select #1/D:808

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) magenta

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!6 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> select clear

> hide #!1 models

> show #!1 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> save /Users/npd1/Desktop/image1.png supersample 3

> hide #!1 models

> show #!4 models

> save /Users/npd1/Desktop/image2.png supersample 3

> show #!1 models

> hide #!4 models

> hide #!1 models

> show #!6 models

> hide #!6 models

> show #!6 models

> save /Users/npd1/Desktop/image1.png supersample 3

> hide #!6 models

> show #!3 models

> save /Users/npd1/Desktop/image2.png supersample 3

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!1 models

> show #!4 models

> select #3,4,6/B,C

2080 atoms, 2323 bonds, 26 pseudobonds, 102 residues, 3 models selected  

> show sel & #!4 cartoons

> show #!6 models

> select #3,4,6/B,C

2080 atoms, 2323 bonds, 26 pseudobonds, 102 residues, 3 models selected  

> show sel cartoons

> save "/Users/npd1/Desktop/Session 3b surfaces.cxs"

> hide #!6 models

> select clear

> select #3,4,6/B,C

2080 atoms, 2323 bonds, 26 pseudobonds, 102 residues, 3 models selected  

> show #!6 models

> select #3,4,6/B,C

2080 atoms, 2323 bonds, 26 pseudobonds, 102 residues, 3 models selected  

> nucleotides sel stubs

[Repeated 1 time(s)]

> show sel cartoons

> show sel atoms

> select clear

> hide #!6 models

> show #!6 models

> select #3,4,6/B,C

2080 atoms, 2323 bonds, 26 pseudobonds, 102 residues, 3 models selected  

> nucleotides sel atoms

> style nucleic & sel stick

Changed 2080 atom styles  

> nucleotides sel ladder

[Repeated 1 time(s)]

> nucleotides sel tube/slab shape box

> select #6/A:887@CD

1 atom, 1 residue, 1 model selected  

> select clear

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> save /Users/npd1/Desktop/image1.png supersample 3

> hide #!6 models

> show #!4 models

> save /Users/npd1/Desktop/image2.png supersample 3

> show #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> hide sel surfaces

[Repeated 1 time(s)]

> save /Users/npd1/Desktop/image1.png supersample 3

> hide #!1 models

> show #!3 models

> hide #!4 models

> show #!6 models

> select #6/A

7729 atoms, 7884 bonds, 3 pseudobonds, 952 residues, 2 models selected  

> hide sel surfaces

> save /Users/npd1/Desktop/image1.png supersample 3

Unsupported scale factor (0.000000) detected on Display0  

[Repeated 1 time(s)]

> hide #!6 models

> show #!6 models

> hide #!3 models

> show #!3 models

> select #3/A

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select #3/D

Nothing selected  

> select #3/A

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> select #3/A:1-60

470 atoms, 474 bonds, 57 residues, 1 model selected  

> color (#!3 & sel) cornflower blue

> select #3/A:60-100,191-340

1512 atoms, 1543 bonds, 191 residues, 1 model selected  

> color (#!3 & sel) yellow

> select #3/A:100-191

727 atoms, 743 bonds, 92 residues, 1 model selected  

> color (#!3 & sel) red

> select #3/A:340-496

1316 atoms, 1345 bonds, 157 residues, 1 model selected  

> color (#!3 & sel) orange

> select #3/A:643-696,750-811,918-978

1433 atoms, 1461 bonds, 177 residues, 1 model selected  

> color (#!3 & sel) forest green

> select #3/A:696-760

530 atoms, 535 bonds, 65 residues, 1 model selected  

> color (#!3 & sel) blue

> select #3/A:811-918

870 atoms, 883 bonds, 108 residues, 1 model selected  

> color (#!3 & sel) magenta

> select #3,4,6/A:768,856,764,904,955,898

186 atoms, 168 bonds, 18 residues, 3 models selected  

> color (#!3,6 & sel) red

> select #3,4,6/A:808

29 atoms, 26 bonds, 3 residues, 3 models selected  

> color (#!3,6 & sel) purple

> select #3,4,6/A:756,659,922

55 atoms, 46 bonds, 9 residues, 3 models selected  

> color (#!3,6 & sel) light sea green

> color (#!3,6 & sel) yellow

> select #3,4,6/A:922

18 atoms, 15 bonds, 3 residues, 3 models selected  

> hide #!3 models

> hide #!6 models

> show #!4 models

> show #!1 models

> select #1/D:756,659,922

25 atoms, 22 bonds, 3 residues, 1 model selected  

> color (#!1 & sel) yellow

> select clear

> save /Users/npd1/Desktop/image1.png supersample 3

> show #!6 models

> show #!3 models

> hide #!4 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select #3/A:808@NH2

1 atom, 1 residue, 1 model selected  

> ui tool show Distances

> select add #3/A:756@OE1

2 atoms, 2 residues, 2 models selected  

> distance #3/A:808@NH2 #3/A:756@OE1

Distance between X2-Max 7WAZ (state II).pdb #3/A ARG 808 NH2 and GLU 756 OE1:
10.332Å  

> hide #!6 models

> hide #!3 models

> show #!4 models

> show #!1 models

> select #1/D:756@OE1

1 atom, 1 residue, 1 model selected  

> select add #1/D:808@NH2

2 atoms, 2 residues, 2 models selected  

> distance #1/D:756@OE1 #1/D:808@NH2

Distance between X2-Max 7WAY (state I).pdb #1/D GLU 756 OE1 and ARG 808 NH2:
9.723Å  

> save "/Users/npd1/Desktop/Session 4 surfaces.cxs"

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> color (#!1 & sel) cornflower blue

> select #1/D:26,610

22 atoms, 20 bonds, 2 residues, 1 model selected  

> color (#!1 & sel) red

> select #4

11453 atoms, 12041 bonds, 6 pseudobonds, 1135 residues, 3 models selected  

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel surfaces

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> color (#!4 & sel) cornflower blue

> hide #!1 models

> select #4/A:26,610

16 atoms, 14 bonds, 2 residues, 1 model selected  

> color (#!4 & sel) red

> ui tool show "Show Sequence Viewer"

> sequence chain #4/B

Alignment identifier is 4/B  

> sequence chain #4/C

Alignment identifier is 4/C  

> select #4/C:6

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #4/C:6-9

79 atoms, 86 bonds, 4 residues, 1 model selected  

> select #4/C:8

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #4/C:8-10

60 atoms, 66 bonds, 3 residues, 1 model selected  

> select clear

> select #4/B:-2-0

60 atoms, 66 bonds, 3 residues, 1 model selected  

> select #4/C:7

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #4/C:7-9

59 atoms, 64 bonds, 3 residues, 1 model selected  

> select #4/C:7

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select #4/C:7-10

80 atoms, 88 bonds, 4 residues, 1 model selected  

> color sel hot pink

> save /Users/npd1/Desktop/T26-K610.cxs

> select #4/A:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> select #4/A:561-568

60 atoms, 59 bonds, 8 residues, 1 model selected  

> hide sel surfaces

> undo

> select #4/A:561-568

60 atoms, 59 bonds, 8 residues, 1 model selected  

> show sel surfaces

> select #4/A:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> hide sel surfaces

> show sel surfaces

> select #4/A:563-568

43 atoms, 42 bonds, 6 residues, 1 model selected  

> hide sel surfaces

> show sel surfaces

> select #4/A:564-568

34 atoms, 33 bonds, 5 residues, 1 model selected  

> select #4/A:563-568

43 atoms, 42 bonds, 6 residues, 1 model selected  

> select #4/A:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> hide sel surfaces

> select #4/A:26,610

16 atoms, 14 bonds, 2 residues, 1 model selected  

> color (#!4 & sel) magenta

> select #4/A:26

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color (#!4 & sel) orange

> select #4/A:610@CD

1 atom, 1 residue, 1 model selected  

> select #4/A:603@CA

1 atom, 1 residue, 1 model selected  

> select clear

> save /Users/npd1/Desktop/image2.png supersample 3

> save /Users/npd1/Desktop/image3.png supersample 3

> select #4/A:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> show sel surfaces

> hide sel surfaces

> show sel surfaces

> transparency (#!4 & sel) 80

> hide sel surfaces

> save /Users/npd1/Desktop/image4.png supersample 3

> show #!1 models

> select #1/D:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> hide sel surfaces

> select #4/A:26,610

16 atoms, 14 bonds, 2 residues, 1 model selected  

> color (#!4 & sel) magenta

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show sel surfaces

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) magenta

> select #1/D:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) orange

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> hide sel surfaces

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> select #1/D:562-568

52 atoms, 51 bonds, 7 residues, 1 model selected  

> hide sel surfaces

> show sel surfaces

> select #1/D:563-568

43 atoms, 42 bonds, 6 residues, 1 model selected  

> select #1/D:563-567

36 atoms, 35 bonds, 5 residues, 1 model selected  

> hide sel surfaces

> select #1/D:563

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel surfaces

> hide sel surfaces

> select #1/D:564

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel surfaces

> hide sel surfaces

> select #1/D:565

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D:566

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D:567

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D:568

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D:569

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/D:561

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/D:562

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select #1/D:563

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D:564

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel surfaces

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show sel surfaces

> select #1/D:191:340

17 atoms, 15 bonds, 2 residues, 1 model selected  

> select #1/D:191:340

17 atoms, 15 bonds, 2 residues, 1 model selected  

> hide sel surfaces

> show sel surfaces

> select #1/D:191:340

17 atoms, 15 bonds, 2 residues, 1 model selected  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> select #1/D:191-340

1174 atoms, 1199 bonds, 150 residues, 1 model selected  

> hide sel surfaces

> lighting soft

> lighting full

> lighting simple

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show sel surfaces

> hide sel surfaces

> show sel cartoons

> select #1/D:26,610

22 atoms, 20 bonds, 2 residues, 1 model selected  

> show sel cartoons

> show sel atoms

> select #4/B,C

1221 atoms, 1364 bonds, 60 residues, 1 model selected  

> hide sel cartoons

> color sel byhetero

> select #1/D:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color (#!1 & sel) forest green

> color sel byhetero

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> color sel byhetero

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show sel surfaces

> select #1/D:26,610

22 atoms, 20 bonds, 2 residues, 1 model selected  

> transparency (#!1 & sel) 70

> select #1/D:563

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 70

> show sel atoms

> select #4/C,D

2993 atoms, 3345 bonds, 1 pseudobond, 142 residues, 2 models selected  

> show sel cartoons

> select #4/B,C

1221 atoms, 1364 bonds, 60 residues, 1 model selected  

> show sel cartoons

> select #1/D:25@CA

1 atom, 1 residue, 1 model selected  

> select #1/D:26@NH2

1 atom, 1 residue, 1 model selected  

> select #1/D:191@NE2

1 atom, 1 residue, 1 model selected  

> select #1/D:642@O

1 atom, 1 residue, 1 model selected  

> select #1/D:25

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 70

> show sel cartoons

> show sel atoms

> select #1/D:642@NH1

1 atom, 1 residue, 1 model selected  

> select clear

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 0

> color (#!1 & sel) cornflower blue

> select clear

> save /Users/npd1/Desktop/image5.png supersample 3

> hide #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel surfaces

> color (#!4 & sel) cornflower blue

> select #4/A:26

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #4/A:26,25,563

25 atoms, 23 bonds, 3 residues, 1 model selected  

> transparency (#!4 & sel) 70

> show sel atoms

> select #4/A:26

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel byhetero

[Repeated 4 time(s)]

> color (#!4 & sel) forest green

> color sel byhetero

> select #4/A:613@ND2

1 atom, 1 residue, 1 model selected  
Drag select of 7way (CasX2 state I).pdb_A SES surface, 186 of 1019076
triangles  

> select #4/A:195-400

1652 atoms, 1690 bonds, 206 residues, 1 model selected  

> hide sel surfaces

> select #4/A:164-400

1840 atoms, 1882 bonds, 1 pseudobond, 229 residues, 2 models selected  

> hide sel surfaces

> select #4/A:132-400

2102 atoms, 2151 bonds, 1 pseudobond, 261 residues, 2 models selected  

> select #4/A:99-400

2298 atoms, 2350 bonds, 2 pseudobonds, 287 residues, 2 models selected  

> hide sel surfaces

> hide #!4 models

> show #!4 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel atoms

> select #4/A:99-400

2298 atoms, 2350 bonds, 2 pseudobonds, 287 residues, 2 models selected  

> hide sel atoms

> select #4/A:98-400

2304 atoms, 2356 bonds, 2 pseudobonds, 288 residues, 2 models selected  

> hide sel surfaces

> hide sel atoms

> select #4/A:8-400

3042 atoms, 3106 bonds, 2 pseudobonds, 378 residues, 2 models selected  

> hide sel atoms

> undo

> select #4/A:88-400

2384 atoms, 2438 bonds, 2 pseudobonds, 298 residues, 2 models selected  

> hide sel surfaces

> hide sel atoms

> save /Users/npd1/Desktop/image6.png supersample 3

> select #4/A:563

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!4 & sel) 0

> select #4/A:25

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!4 & sel) 0

> select clear

> select #4/A:26

7 atoms, 6 bonds, 1 residue, 1 model selected  

> transparency (#!4 & sel) 80

> lighting soft

> lighting simple

> lighting full

> lighting flat

> lighting simple

> lighting shadows true

> lighting simple

> save /Users/npd1/Desktop/image7.png supersample 3

> select clear

> save /Users/npd1/Desktop/image8.png supersample 3

> save /Users/npd1/Desktop/T26.cxs

——— End of log from Wed Dec 18 17:53:52 2024 ———

opened ChimeraX session  

> select #4/D

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> show sel cartoons

> nucleotides sel atoms

> style nucleic & sel stick

Changed 2446 atom styles  

> nucleotides sel ladder

[Repeated 3 time(s)]

> show sel atoms

> nucleotides sel ladder

[Repeated 1 time(s)]

> nucleotides sel tube/slab shape box

> select #4/A:28@CB

1 atom, 1 residue, 1 model selected  

> select clear

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> select #4/A:85

12 atoms, 12 bonds, 1 residue, 1 model selected  

> hide sel surfaces

> select #4/D

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> color (#!4 & sel) orange

> select #4/A:29@CG

1 atom, 1 residue, 1 model selected  

> select clear

> save /Users/npd1/Desktop/image11.png supersample 3

> save /Users/npd1/Desktop/T26a.cxs

——— End of log from Wed Dec 18 18:16:40 2024 ———

opened ChimeraX session  

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> select #4/A:26

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel surfaces

[Repeated 1 time(s)]

> transparency (#!4 & sel) 0

> color (#!4 & sel) cornflower blue

> select #4/A:610

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!4 & sel) 80

> color (#!4 & sel) forest green

> color sel byhetero

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel surfaces

> select #4/A:613@CB

1 atom, 1 residue, 1 model selected  

> select #4/A:643@CB

1 atom, 1 residue, 1 model selected  

> select #4/A:22@CD

1 atom, 1 residue, 1 model selected  

> select #4/A:24@CA

1 atom, 1 residue, 1 model selected  

> select #1

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> save /Users/npd1/Desktop/image1.png supersample 3

> save /Users/npd1/Desktop/K610.cxs

——— End of log from Thu Dec 19 08:04:12 2024 ———

opened ChimeraX session  

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> hide sel atoms

> hide sel cartoons

> hide sel surfaces

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show #!4 atoms

> show #!4 surfaces

> select #4/B,C,D

3667 atoms, 4098 bonds, 1 pseudobond, 175 residues, 2 models selected  

> hide sel surfaces

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> transparency (#!4 & sel) 0

> select #4/D

2446 atoms, 2734 bonds, 1 pseudobond, 115 residues, 2 models selected  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> transparency (#!1 & sel) 0

> select #1/D:26

11 atoms, 10 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 80

> save /Users/npd1/Desktop/R610.cxs

> select #1/D:25

9 atoms, 8 bonds, 1 residue, 1 model selected  

> surface hidePatches (#!1 & sel)

> select #1/D:563

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 80

> select #1/D:25

9 atoms, 8 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 80

> show sel surfaces

> select clear

> save /Users/npd1/Desktop/R610.cxs

> save /Users/npd1/Desktop/image2.png supersample 3

> select #1/D:25,563

18 atoms, 16 bonds, 2 residues, 1 model selected  

> color sel byhetero

> hide sel surfaces

> show sel surfaces

> select clear

[Repeated 1 time(s)]

> save /Users/npd1/Desktop/R610.cxs

——— End of log from Thu Dec 19 08:17:31 2024 ———

opened ChimeraX session  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> color (#!1 & sel) cornflower blue

> transparency (#!1 & sel) 0

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> transparency (#!1 & sel) 80

> color (#!1 & sel) forest green

> color sel byhetero

> ui tool show Rotamers

Populating font family aliases took 70 ms. Replace uses of missing font family
"Times" with one that exists to avoid this cost.  

> swapaa interactive sel ARG rotLib Dunbrack

X2-Max 7WAY (state I).pdb #1/D ARG 610: phi -126.4, psi 147.2 trans  
Changed 600 bond radii  

> select up

123 atoms, 123 bonds, 15 residues, 2 models selected  

> save /Users/npd1/Desktop/R610.cxs

——— End of log from Thu Dec 19 08:48:26 2024 ———

opened ChimeraX session  

> select #1/D:563-564

15 atoms, 14 bonds, 2 residues, 1 model selected  

> transparency (#!1 & sel) 80

> ui tool show Rotamers

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #4/B

674 atoms, 753 bonds, 33 residues, 1 model selected  

> hide sel cartoons

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel ARG rotLib Dunbrack

X2-Max 7WAY (state I).pdb #1/D ARG 610: phi -126.4, psi 147.2 trans  
Changed 600 bond radii  

> select #1.2.23/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #!1/D:563@CE

2 atoms, 2 residues, 2 models selected  

> select add #4/B:22@OP1

3 atoms, 3 residues, 4 models selected  

> select #1.2.48/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #1.2.23/A:1@NH2

2 atoms, 2 residues, 2 models selected  

> select #1.2.23/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> ui tool show Distances

> distance #1.2.23/A:1@NH2 #4/B:22@OP1

Distance between rotamer 23 #1.2.23/A ARG 1 NH2 and 7way (CasX2 state I).pdb
#4/B DG 22 OP1: 2.632Å  

> distance #1.2.23/A:1@NH2 #4/B:22@OP1

Distance already exists; modify distance properties with 'distance style'  

> select #1.2.57/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1.2.57/A:1@NH2 #4/B:22@OP1

Distance between rotamer 57 #1.2.57/A ARG 1 NH2 and 7way (CasX2 state I).pdb
#4/B DG 22 OP1: 2.451Å  

> select #1.2.48/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1.2.48/A:1@NH2 #4/B:22@OP1

Distance between rotamer 48 #1.2.48/A ARG 1 NH2 and 7way (CasX2 state I).pdb
#4/B DG 22 OP1: 2.329Å  

> swapaa #!1/D:610 ARG criteria 48 rotLib Dunbrack retain false

Using Dunbrack library  
X2-Max 7WAY (state I).pdb #!1/D ARG 610: phi -126.4, psi 147.2 trans  
Applying ARG rotamer (chi angles: -170.4 -85.5 -170.4 -173.1) to X2-Max 7WAY
(state I).pdb #!1/D ARG 610  

> select #1/D:612

5 atoms, 4 bonds, 1 residue, 1 model selected  

> hide sel surfaces

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> hide sel surfaces

> select #1/D:611

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #1/D:612

5 atoms, 4 bonds, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select #1/D:611

8 atoms, 7 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> ui tool show Rotamers

> swapaa interactive sel ARG rotLib Dunbrack

X2-Max 7WAY (state I).pdb #1/D ARG 610: phi -126.4, psi 147.2 trans  
Changed 600 bond radii  
Drag select of 1 atoms, 1 residues  

> select #1.2.57/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1.2.57/A:1@NH2 #4/B:22@OP1

Distance between rotamer 57 #1.2.57/A ARG 1 NH2 and 7way (CasX2 state I).pdb
#4/B DG 22 OP1: 2.453Å  

> select #1.2.23/A:1@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #1.2.23/A:1@NH2 #4/B:22@OP1

Distance between rotamer 23 #1.2.23/A ARG 1 NH2 and 7way (CasX2 state I).pdb
#4/B DG 22 OP1: 2.633Å  

> swapaa #!1/D:610 ARG criteria 23 rotLib Dunbrack retain false

Using Dunbrack library  
X2-Max 7WAY (state I).pdb #!1/D ARG 610: phi -126.4, psi 147.2 trans  
Applying ARG rotamer (chi angles: -178.6 176.8 -178.6 -89.1) to X2-Max 7WAY
(state I).pdb #!1/D ARG 610  

> select #1/D

7921 atoms, 8081 bonds, 1 pseudobond, 975 residues, 2 models selected  

> show sel surfaces

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel surfaces

> select #1/D:610@NH2

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 3 models selected  

> distance #1/D:610@NH2 #4/B:22@OP1

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 610 NH2 and 7way (CasX2
state I).pdb #4/B DG 22 OP1: 2.633Å  

> show #!8 models

> ~distance #1/D:610@NH2 #4/B:22@OP1

> ~distance #1/D:26@NH2 #4/B:21@OP1

> ~distance #3/A:26@NH2 #4/C:11@O2

> ~distance #3/A:26@NH2 #4/B:20@OP1

> ~distance #1/D:26@NH2 #3/A:26@NH2

> ~distance #4/A:610@NZ #4/B:22@OP1

> ~distance #4/B:20@OP1 #1/D:26@NH2

> ~distance #3/A:610@NH1 #4/B:22@OP1

> ~distance #3/A:808@NH1 #6/B:3@OP1

> ~distance #1/D:26@NH2 #4/B:20@OP2

> ~distance #4/C:21@OP2 #1/D:808@NH1

> ~distance #6/A:610@NZ #6/B:22@OP1

> ~distance #1/D:808@NH2 #4/C:21@OP2

> ~distance #6/B:21@OP1 #2/D:26@NH2

> ~distance #4/A:610@NZ #4/B:21@OP2

> ~distance #2/D:26@NH2 #6/B:21@OP2

> ~distance #2/D:610@NH1 #6/B:21@OP2

> ~distance #6/A:808@NZ #6/B:3@OP1

> ~distance #2/D:610@NH1 #6/B:22@OP1

> ~distance #3/A:26@NH2 #4/B:21@OP2

> ~distance #6/B:20@OP1 #2/D:26@NH2

> ~distance #3/A:26@NH2 #6/C:11@O2

> ~distance #6/A:610@NZ #6/B:21@OP2

> ~distance #3/A:26@NH2 #6/B:20@OP1

> ~distance #3/A:26@NH2 #6/B:21@OP1

> ~distance #1/D:26@NH2 #2/D:26@NH2

> ~distance #6/A:610@NZ #2/D:610@NH1

> ~distance #1/D:26@NH2 #4/C:12@O2

> ~distance #3/A:26@NH1 #6/B:21@OP1

> ~distance #4/A:808@NZ #4/C:21@OP2

> ~distance #2/D:26@NH2 #6/C:12@O2

> ~distance #3/A:26@NH2 #6/C:12@O2

> ~distance #3/A:808@NH2 #6/B:3@OP1

> ~distance #1/D:756@OE1 #1/D:808@NH2

> ~distance #3/A:808@NH2 #3/A:756@OE1

> ~distance #3/A:26@NH2 #4/B:20@OP2

> ~distance #3/A:26@NH2 #4/B:21@OP1

> ~distance #1/D:26@NH2 #4/C:11@O2

> ~distance #1/D:26@NH2 #4/B:21@OP2

> ui tool show Distances

> distance #1/D:610@NH2 #4/B:22@OP1

Distance between X2-Max 7WAY (state I).pdb #1/D ARG 610 NH2 and 7way (CasX2
state I).pdb #4/B DG 22 OP1: 2.633Å  

> select #1/D:608@CA

1 atom, 1 residue, 1 model selected  

> select #2

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> save /Users/npd1/Desktop/R610.cxs

> save /Users/npd1/Desktop/image7.png supersample 3

> hide #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel surfaces

> select #4/A:610

9 atoms, 8 bonds, 1 residue, 1 model selected  

> hide sel surfaces

> show sel atoms

> select #4/A:610@NZ

1 atom, 1 residue, 1 model selected  

> select add #4/B:22@OP1

2 atoms, 2 residues, 2 models selected  

> distance #4/A:610@NZ #4/B:22@OP1

Distance between 7way (CasX2 state I).pdb #4/A LYS 610 NZ and /B DG 22 OP1:
4.707Å  

> show sel surfaces

> hide sel surfaces

> select #4/A:610

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel surfaces

> transparency (#!4 & sel) 80

> save /Users/npd1/Desktop/K610.cxs

> select clear

> save /Users/npd1/Desktop/image8.png supersample 3

> save /Users/npd1/Desktop/K610a.cxs

> show #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel surfaces

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel surfaces

> transparency (#!1 & sel) 80

> select clear

> save /Users/npd1/Desktop/R610a.cxs

——— End of log from Thu Dec 19 09:27:48 2024 ———

opened ChimeraX session  

> select #4/A:563-4

Nothing selected  

> select #1/D:563-4

Nothing selected  

> select #1/D:563-564

15 atoms, 14 bonds, 2 residues, 1 model selected  

> transparency (#!1 & sel) 80

> select #1/D:227@NZ

1 atom, 1 residue, 1 model selected  

> select clear

> select #1/D:563-566

28 atoms, 27 bonds, 4 residues, 1 model selected  

> hide sel cartoons

> hide sel atoms

> hide sel surfaces

> select #1/D:562-566

37 atoms, 36 bonds, 5 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:22-26

38 atoms, 37 bonds, 5 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:561-566

45 atoms, 44 bonds, 6 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:561-566,642

56 atoms, 54 bonds, 7 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:561-566,640-642

76 atoms, 74 bonds, 9 residues, 1 model selected  

> hide sel cartoons

> hide sel atoms

> hide sel surfaces

> select #1/D:561-566,640-642,509

87 atoms, 85 bonds, 10 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:561-566,640-642,509,610

98 atoms, 95 bonds, 11 residues, 1 model selected  

> hide sel surfaces

> select #1/D:561-566,640-642,509

87 atoms, 85 bonds, 10 residues, 1 model selected  

> show sel surfaces

> show sel cartoons

> show sel atoms

[Repeated 1 time(s)]

> show sel cartoons

> transparency (#!1 & sel) 0

> select #1/D:64@CG

1 atom, 1 residue, 1 model selected  

> select #1/D:640-642

31 atoms, 30 bonds, 3 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:640-642,563

40 atoms, 38 bonds, 4 residues, 1 model selected  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> select #1/D:509

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel surfaces

[Repeated 1 time(s)]

> select #1/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> show sel surfaces

[Repeated 1 time(s)]

> select #1/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> transparency (#!1 & sel) 0

> hide sel surfaces

> hide sel atoms

> select #1/D:610

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel cartoons

> show sel atoms

> select #1/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> cartoon style (#!1 & sel) modeHelix tube sides 20

> label height 3

> label height 2

> label height 1

> select clear

> label size 1000

> label size 1

> label size 20

> label size 30

> label size 40

> label size 2.5

Invalid "size" argument: Expected 'default' or an integer  

> label size 3

> label size 2

> label size 40

> label height 3

> label height 2.5

> label height 2

> label height 1.5

> label height 1

> label height 1.25

> select clear

> save /Users/npd1/Desktop/image5.png supersample 3

> save /Users/npd1/Desktop/R610b.cxs

——— End of log from Thu Dec 19 14:32:51 2024 ———

opened ChimeraX session  

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> select #1/D

7921 atoms, 8081 bonds, 975 residues, 1 model selected  

> cartoon style (#!1 & sel) xsection oval modeHelix default

> label size 1

> label label height 1

Expected one of 'atoms', 'bonds', 'models', 'pseudobonds', or 'residues' or a
keyword  

> label height 1

> label height 0

> select clear

> save /Users/npd1/Desktop/image1.png supersample 3

> save /Users/npd1/Desktop/image2.png supersample 3

> hide #!1 models

> select #4/A

7786 atoms, 7943 bonds, 2 pseudobonds, 960 residues, 2 models selected  

> show sel cartoons

> cartoon style (#!4 & sel) xsection oval modeHelix default

> select #4/A:610

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> save /Users/npd1/Desktop/image3.png supersample 3

> save /Users/npd1/Desktop/K610c.cxs

——— End of log from Fri Dec 20 14:41:34 2024 ———

opened ChimeraX session  




OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M3
OpenGL vendor: Apple

Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac15,12
      Model Number: MC8N4LL/A
      Chip: Apple M3
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 24 GB
      System Firmware Version: 11881.120.111.0.1
      OS Loader Version: 11881.120.111.0.1

Software:

    System Software Overview:

      System Version: macOS 15.5 (24F5053f)
      Kernel Version: Darwin 24.5.0
      Time since boot: 8 hours, 23 minutes

Graphics/Displays:

    Apple M3:

      Chipset Model: Apple M3
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 10
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        Display:
          Resolution: 2560 x 1600
          UI Looks like: 2560 x 1600 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: Supported
        VX3276-FHD:
          Resolution: 1080 x 1920
          UI Looks like: 1080 x 1920 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: 90


Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    babel: 2.16.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.8
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.18
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.6
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.18.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.2
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    sniffio: 1.3.1
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tornado: 6.4.2
    traitlets: 5.14.3
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13

Change History (2)

comment:1 by pett, 6 months ago

Component: UnassignedWindow Toolkit
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionCrash moving window between screens

Reported by Niles Donegan

comment:2 by Tom Goddard, 6 months ago

Resolution: duplicate
Status: assignedclosed

The ChimeraX bug report dialog explained what we know about this crash

"This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX."

The current ChimeraX daily build uses a newer Qt version 6.8.2 and we have not observed these Mac multi-display crashes using it. So you might want to try the ChimeraX daily build.

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