﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
8236	Graphics hardware encountered an error and was reset	chimerax-bug-report@…	Eric Pettersen	"{{{
The following bug report has been submitted:
Platform:        macOS-10.16-x86_64-i386-64bit
ChimeraX Version: 1.6.dev202211300249 (2022-11-30 02:49:47 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Aborted

Current thread 0x00007ff85d2574c0 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/graphics/opengl.py"", line 235 in swap_buffers
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/graphics/opengl.py"", line 497 in swap_buffers
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/graphics/view.py"", line 191 in draw
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/updateloop.py"", line 73 in draw_new_frame
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/updateloop.py"", line 139 in _redraw_timer_callback
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py"", line 284 in event_loop
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 892 in init
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 1043 in 
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py"", line 87 in _run_code
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py"", line 197 in _run_module_as_main


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    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/Python"",
    ""name"" : ""Python"",
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    ""base"" : 4512829440,
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    ""uuid"" : ""2be8100b-aa99-3117-95ff-0200ddc4032f"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/QtCore.abi3.so"",
    ""name"" : ""QtCore.abi3.so""
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    ""uuid"" : ""35b47b1c-6952-3d39-a5e7-711f3ca228f2"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtCore.framework\/Versions\/A\/QtCore"",
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    ""uuid"" : ""f36760e5-d1e7-3a93-ae8c-1c3e55e3fc35"",
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    ""name"" : ""QtWidgets""
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    ""source"" : ""P"",
    ""arch"" : ""x86_64"",
    ""base"" : 4595326976,
    ""size"" : 2801664,
    ""uuid"" : ""babd94e3-ec19-3110-ab5b-11c39432d8c5"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/QtWidgets.abi3.so"",
    ""name"" : ""QtWidgets.abi3.so""
  },
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    ""source"" : ""P"",
    ""arch"" : ""x86_64h"",
    ""base"" : 140703558041600,
    ""CFBundleShortVersionString"" : ""6.9"",
    ""CFBundleIdentifier"" : ""com.apple.CoreFoundation"",
    ""size"" : 4820992,
    ""uuid"" : ""dbc459f3-81bb-398a-8f74-3f7392392bb7"",
    ""path"" : ""\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation"",
    ""name"" : ""CoreFoundation"",
    ""CFBundleVersion"" : ""1953.1""
  },
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    ""source"" : ""P"",
    ""arch"" : ""x86_64"",
    ""base"" : 140703718666240,
    ""CFBundleShortVersionString"" : ""2.1.1"",
    ""CFBundleIdentifier"" : ""com.apple.HIToolbox"",
    ""size"" : 3112947,
    ""uuid"" : ""ff73b93b-3c5b-3f73-948f-0a35a80f7fad"",
    ""path"" : ""\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox"",
    ""name"" : ""HIToolbox""
  },
  {
    ""source"" : ""P"",
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    ""size"" : 4096,
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    ""CFBundleVersion"" : ""1.6.0.0""
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    ""uuid"" : ""28fd2071-57f3-3873-87bf-e4f674a82de6"",
    ""path"" : ""\/usr\/lib\/dyld"",
    ""name"" : ""dyld""
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    ""source"" : ""P"",
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    ""size"" : 165052416,
    ""uuid"" : ""4aa1de3e-464c-340c-ab61-bcd39bfc7658"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtWebEngineCore.framework\/Versions\/A\/QtWebEngineCore"",
    ""name"" : ""QtWebEngineCore""
  },
  {
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    ""arch"" : ""x86_64"",
    ""base"" : 4614905856,
    ""size"" : 64028672,
    ""uuid"" : ""24c9d5c5-4854-3af4-9550-cb0204044dfa"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/numpy\/.dylibs\/libopenblas64_.0.dylib"",
    ""name"" : ""libopenblas64_.0.dylib""
  }
],
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},
  ""vmSummary"" : ""ReadOnly portion of Libraries: Total=1.1G resident=0K(0%) swapped_out_or_unallocated=1.1G(100%)\nWritable regions: Total=2.2G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=2.2G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework               512K        4 \nActivity Tracing                   256K        1 \nCG backing stores                 3456K        4 \nCG image                           356K       37 \nColorSync                          248K       29 \nCoreAnimation                      540K       60 \nCoreGraphics                        12K        2 \nCoreUI image data                 5164K       42 \nFoundation                          40K        2 \nKernel Alloc Once                    8K        1 \nMALLOC                             1.9G      969 \nMALLOC guard page                   32K        8 \nMALLOC_LARGE (reserved)            544K        2         reserved VM address space (unallocated)\nMach message                        16K        3 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                         88K       22 \nStack                            139.2M       23 \nStack Guard                       56.0M        1 \nVM_ALLOCATE                      157.8M      158 \n__CTF                               756        1 \n__DATA                            46.7M      759 \n__DATA_CONST                      41.2M      394 \n__DATA_DIRTY                      1833K      229 \n__FONT_DATA                        2352        1 \n__GLSLBUILTINS                    5174K        1 \n__LINKEDIT                       213.2M      150 \n__OBJC_RO                         65.1M        1 \n__OBJC_RW                         1982K        2 \n__TEXT                           899.4M      765 \ndyld private memory                416K        3 \nmapped file                      250.9M       67 \nshared memory                     3512K       32 \n===========                     =======  ======= \nTOTAL                              3.8G     3777 \nTOTAL, minus reserved VM space     3.8G     3777 \n"",
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    ""name"" : ""CrBrowserMain"",
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},
  ""trialInfo"" : {
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}
===== Log before crash start =====
UCSF ChimeraX version: 1.6.dev202211300249 (2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/yizhang/Desktop/Fig2x_interface.cxs

Opened cryosparc_P75_J279_006_volume_map.mrc gaussian as #6, grid size
180,180,180, pixel 1.34, shown at step 1, values float32  
Log from Tue Dec 27 15:02:11 2022UCSF ChimeraX version: 1.6.dev202211300249
(2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/yizhang/Desktop/Fig2x_comp_AF2.cxs

Opened cryosparc_P75_J279_006_volume_map.mrc gaussian as #6, grid size
180,180,180, pixel 1.34, shown at step 1, values float32  
Log from Tue Dec 27 14:48:09 2022UCSF ChimeraX version: 1.6.dev202211300249
(2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_comp_AF2.cxs

Opened cryosparc_P75_J279_006_volume_map.mrc gaussian as #6, grid size
180,180,180, pixel 1.34, shown at step 1, values float32  
Log from Tue Dec 27 14:31:10 2022UCSF ChimeraX version: 1.6.dev202211300249
(2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_compare.cxs

Opened cryosparc_P75_J279_006_volume_map.mrc gaussian as #6, grid size
180,180,180, pixel 1.34, shown at step 1, values float32  
Log from Sun Dec 25 13:56:17 2022UCSF ChimeraX version: 1.6.dev202211300249
(2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig1f.cxs

restore_snapshot for ""Volume"" returned None  

restore_snapshot for ""VolumeSurface"" returned None  

Opened cryosparc_P75_J279_006_volume_map.mrc gaussian as #6, grid size
180,180,180, pixel 1.34, shown at level 0.19, step 1, values float32  
Log from Thu Dec 22 16:39:58 2022UCSF ChimeraX version: 1.6.dev202211300249
(2022-11-30)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2022/_data_structure/_hsATE1_20220701_dataset/cryosparc_P75_J279_006_volume_map.mrc

Opened cryosparc_P75_J279_006_volume_map.mrc as #1, grid size 180,180,180,
pixel 1.34, shown at level 0.143, step 1, values float32  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2022/_data_structure/_hsATE1_20220701_dataset/hATE1_dimer_real_space_refined_002_renumber.pdb

Chain information for hATE1_dimer_real_space_refined_002_renumber.pdb #2  
---  
Chain | Description  
A B | No description available  
  

> open /Users/yizhang/Desktop/Preset_yz.cxc

> open annotated_ate1_real_space_refined_017.pdb

Failed opening file /Users/yizhang/Desktop/Preset_yz.cxc:  
No such file/path: annotated_ate1_real_space_refined_017.pdb  

> open /Users/yizhang/Desktop/Preset_yz.cxc

> open annotated_ate1_real_space_refined_017.pdb

Failed opening file /Users/yizhang/Desktop/Preset_yz.cxc:  
No such file/path: annotated_ate1_real_space_refined_017.pdb  

> set bgColor white

> transparency 50

> color bychain

> preset cylinders

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> preset ribbons

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> preset cylinders

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> volume #1 step 1

> transparency 50

> volume #1 level 1.5

> volume #1 level 1.1

> volume #1 level 0.8

> volume #1 level 0.2

> volume #1 level 0.25

> volume #1 level 0.3

> preset ribbon

Using preset: Cartoons/Nucleotides / Ribbons/Slabs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    cartoon
    cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20
    cartoon style ~(nucleic|strand) x round
    cartoon style (nucleic|strand) x rect
    nucleotides tube/slab shape box

  

> volume #1 level 0.1

[had to delete a bunch to fit within ticket limits]

> matchmaker #3 to #2/A

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 hATE1_dimer_real_space_refined_002_renumber.pdb, chain A (#2) with
ScAte1_real_space_refined_038.pdb, chain A (#3), sequence alignment score =
466.7  
RMSD between 167 pruned atom pairs is 1.238 angstroms; (across all 325 pairs:
12.594)  
  

> hide #!2 models

> color #3 sky blue

> color #3 deep sky blue

> show #!2 models

> hide #!2 models

> color #3:25-53,126-151,198-219,337-448 spring green

> show #!2 models

> color #3 byatom

> hide #!1 models

> 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

  

> save /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_compare.cxs

> view

[Repeated 1 time(s)]

> show #!1 models

> view

> zoom

Pixel size at center of rotation is 0.268  

> view

[Repeated 4 time(s)]

> view orient

[Repeated 1 time(s)]

> hide #!1 models

> show #!1 models

> hide #!3 models

> lighting simple

> lighting soft

> lighting full

> lighting simple

> lighting soft

> lighting shadows true intensity 0.5

> lighting soft

> lighting simple

> lighting soft

> lighting simple

[Repeated 1 time(s)]

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

> show #!3 models

> hide #!1 models

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

> save /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_compare.cxs

——— End of log from Sun Dec 25 13:56:17 2022 ———

opened ChimeraX session  

> open /Users/yizhang/Downloads/AF-O95260-F1-model_v4.pdb

AF-O95260-F1-model_v4.pdb title:  
Alphafold monomer V2.0 prediction for arginyl-TRNA--protein transferase 1
(O95260) [more info...]  
  
Chain information for AF-O95260-F1-model_v4.pdb #4  
---  
Chain | Description | UniProt  
A | arginyl-TRNA--protein transferase 1 | ATE1_HUMAN  
  

> matchmaker #4 to #2

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 hATE1_dimer_real_space_refined_002_renumber.pdb, chain A (#2) with
AF-O95260-F1-model_v4.pdb, chain A (#4), sequence alignment score = 1458.6  
RMSD between 315 pruned atom pairs is 1.012 angstroms; (across all 349 pairs:
1.272)  
  

> color #4 slate gray

> save /Users/yizhang/Desktop/Fig2x_comp_AF2.cxs

> view

> hide #!3 models

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/_data_structure/_hsATE1_20220701_dataset/hATE1_dimer_real_space_refined_002_renumber.pdb

Chain information for hATE1_dimer_real_space_refined_002_renumber.pdb #5  
---  
Chain | Description  
A B | No description available  
  

> matchmaker #5/A to #2

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 hATE1_dimer_real_space_refined_002_renumber.pdb, chain A (#2) with
hATE1_dimer_real_space_refined_002_renumber.pdb, chain A (#5), sequence
alignment score = 1858.4  
RMSD between 349 pruned atom pairs is 0.000 angstroms; (across all 349 pairs:
0.000)  
  

> select add #5

11214 atoms, 11380 bonds, 2 pseudobonds, 698 residues, 2 models selected  

> select subtract #5

Nothing selected  

> close #5

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/_data_structure/_hsATE1_20220701_dataset/hATE1_dimer_real_space_refined_002_renumber.pdb

Chain information for hATE1_dimer_real_space_refined_002_renumber.pdb #5  
---  
Chain | Description  
A B | No description available  
  

> select #5

11214 atoms, 11380 bonds, 2 pseudobonds, 698 residues, 2 models selected  

> select add #2

22428 atoms, 22760 bonds, 4 pseudobonds, 1396 residues, 4 models selected  

> select subtract #2

11214 atoms, 11380 bonds, 2 pseudobonds, 698 residues, 2 models selected  

> select subtract #5

Nothing selected  

> color #4:103-264 spring green

> color #4:102-264 spring green

> undo

[Repeated 1 time(s)]

> color #4:101-265 spring green

> undo

> color #4:104-265 spring green

> hide #5/A

> color #5/B yellow

> color #5/B dark khaki

> 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

  

> 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

  

> preset ""overall look"" interactive

Using preset: Overall Look / Interactive  
Preset expands to these ChimeraX commands:

    
    
    ~set bg
    graphics silhouettes f
    lighting depthCue t

  

> 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

  

> 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

  

> view

> orient

Unknown command: orient  

> orient

Unknown command: orient  

> view orient

> lighting simple

> lighting soft

> lighting full

> 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 simple

> lighting soft

> lighting simple

> lighting shadows true

> lighting shadows false

> open /Users/yizhang/Downloads/AF-O95260-F1-model_v4.pdb

AF-O95260-F1-model_v4.pdb title:  
Alphafold monomer V2.0 prediction for arginyl-TRNA--protein transferase 1
(O95260) [more info...]  
  
Chain information for AF-O95260-F1-model_v4.pdb #7  
---  
Chain | Description | UniProt  
A | arginyl-TRNA--protein transferase 1 | ATE1_HUMAN  
  

> matchmaker #7 to #5/B

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 hATE1_dimer_real_space_refined_002_renumber.pdb, chain B (#5) with
AF-O95260-F1-model_v4.pdb, chain A (#7), sequence alignment score = 1413.6  
RMSD between 320 pruned atom pairs is 1.063 angstroms; (across all 349 pairs:
1.404)  
  

> close #7

> view

> lighting simple

> save /Users/yizhang/Desktop/Fig2x_comp_AF2.cxs

——— End of log from Tue Dec 27 14:31:10 2022 ———

opened ChimeraX session  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_comp_AF2.cxc

> open O95260

'O95260' has no suffix  

> open /Users/yizhang/Library/CloudStorage/Box-
> Box/Manuscripts/hsATE1_2023/str_panels/Fig2x_comp_AF2.cxc

> matchmaker #4 to #2

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 hATE1_dimer_real_space_refined_002_renumber.pdb, chain A (#2) with
AF-O95260-F1-model_v4.pdb, chain A (#4), sequence alignment score = 1458.6  
RMSD between 315 pruned atom pairs is 1.012 angstroms; (across all 349 pairs:
1.272)  
  

> hide #5/A

> color #5/B dark khaki

> color #4 light gray

> color #4:104-265 blue

executed Fig2x_comp_AF2.cxc  

> view

[Repeated 1 time(s)]

> save /Users/yizhang/Desktop/Fig2x_comp_AF2.cxs

——— End of log from Tue Dec 27 14:48:09 2022 ———

opened ChimeraX session  

> save /Users/yizhang/Desktop/Fig2x_interface.cxs

——— End of log from Tue Dec 27 15:02:11 2022 ———

opened ChimeraX session  




OpenGL version: 4.1 INTEL-20.2.44
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics OpenGL Engine
OpenGL vendor: Intel Inc.

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,2
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 2 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 512 KB
      L3 Cache: 6 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 1916.40.8.0.0 (iBridge: 20.16.420.0.0,0)
      OS Loader Version: 564.40.4~27

Software:

    System Software Overview:

      System Version: macOS 13.0.1 (22A400)
      Kernel Version: Darwin 22.1.0
      Time since boot: 6 days, 6 hours, 39 minutes

Graphics/Displays:

    Intel Iris Plus Graphics:

      Chipset Model: Intel Iris Plus Graphics
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x8a53
      Revision ID: 0x0007
      Metal Support: Metal 3
      Displays:
        U32R59x:
          Resolution: 4608 x 2592
          UI Looks like: 2304 x 1296 @ 30.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: HNAT600173  
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: Thunderbolt/DisplayPort


Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.0
    Babel: 2.11.0
    backcall: 0.2.0
    blockdiag: 3.0.0
    build: 0.8.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 2.1.1
    ChimeraX-AddCharge: 1.5.7
    ChimeraX-AddH: 2.2.3
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.8
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-Atomic: 1.43.4
    ChimeraX-AtomicLibrary: 8.0.4
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.7.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.1
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.2
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.dev202211300249
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.1
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-Dicom: 1.1
    ChimeraX-DistMonitor: 1.3
    ChimeraX-DockPrep: 1.0.1
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.2
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    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-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.1
    ChimeraX-MatchMaker: 2.0.9
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.9
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.7
    ChimeraX-ModelPanel: 1.3.6
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.1
    ChimeraX-MouseModes: 1.1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.9.3
    ChimeraX-PDB: 2.6.9
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.0
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.1
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.1.3
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.25.2
    ChimeraX-uniprot: 2.2.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.1.6
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.1
    ChimeraX-WebServices: 1.1.0
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.5
    cxservices: 1.2
    cycler: 0.11.0
    Cython: 0.29.32
    debugpy: 1.6.4
    decorator: 5.1.1
    docutils: 0.19
    entrypoints: 0.4
    executing: 1.2.0
    filelock: 3.7.1
    fonttools: 4.38.0
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.7.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.33
    imagecodecs: 2022.7.31
    imagesize: 1.4.1
    importlib-metadata: 5.1.0
    ipykernel: 6.15.3
    ipython: 8.4.0
    ipython-genutils: 0.2.0
    jedi: 0.18.1
    Jinja2: 3.1.2
    jupyter-client: 7.3.4
    jupyter-core: 5.1.0
    kiwisolver: 1.4.4
    line-profiler: 3.5.1
    lxml: 4.9.1
    lz4: 4.0.2
    MarkupSafe: 2.1.1
    matplotlib: 3.5.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.0
    networkx: 2.8.5
    numexpr: 2.8.4
    numpy: 1.23.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.2.0
    pip: 22.2.2
    pkginfo: 1.8.3
    platformdirs: 2.5.4
    prompt-toolkit: 3.0.33
    psutil: 5.9.1
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.12.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2022.6
    pyzmq: 24.0.1
    qtconsole: 5.3.1
    QtPy: 2.3.0
    RandomWords: 0.4.0
    requests: 2.28.1
    scipy: 1.9.0
    setuptools: 65.1.1
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.2
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 5.1.1
    sphinx-autodoc-typehints: 1.19.1
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tifffile: 2022.7.31
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.2
    traitlets: 5.3.0
    typing-extensions: 4.4.0
    urllib3: 1.26.13
    wcwidth: 0.2.5
    webcolors: 1.12
    wheel: 0.37.1
    wheel-filename: 1.4.1
    zipp: 3.11.0

}}}
"	defect	accepted	normal		Graphics								all	ChimeraX
