﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
17117	Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0	chimerax-bug-report@…		"{{{
The following bug report has been submitted:
Platform:        macOS-15.3.1-arm64-arm-64bit
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Current thread 0x00000001f01f0840 (most recent call first):
  File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py"", line 275 in event_loop
  File ""/Applications/ChimeraX-1.6.1.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-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 1043 in 
  File ""/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py"", line 87 in _run_code
  File ""/Applications/ChimeraX-1.6.1.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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  ""captureTime"" : ""2025-03-18 12:50:04.9464 +0000"",
  ""codeSigningMonitor"" : 1,
  ""incident"" : ""0C180477-2E2C-49D6-9E56-31735D108B85"",
  ""pid"" : 5986,
  ""translated"" : false,
  ""cpuType"" : ""ARM-64"",
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  ""bug_type"" : ""309"",
  ""procLaunch"" : ""2025-03-17 15:17:37.4035 +0000"",
  ""procStartAbsTime"" : 14887294212809,
  ""procExitAbsTime"" : 15388352198080,
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  ""procPath"" : ""\/Applications\/ChimeraX-1.6.1.app\/Contents\/MacOS\/ChimeraX"",
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===== Log before crash start =====
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open /Users/sxfp8838/Library/CloudStorage/OneDrive-
> UniversityofLeeds/BRISC/BRISC.cxs

Opened Composite_map_v1.mrc as #1, grid size 881,854,755, pixel
0.74,0.74,0.74, shown at level 0.0446, step 1, values float32  
Log from Tue Feb 18 11:20:33 2025UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/sxfp8838/Downloads/Map_model_Ub5_27Nov2024 copy.cxs"" format
> session

Opened Composite_map_v1.mrc as #1, grid size 881,854,755, pixel
0.74,0.74,0.74, shown at level 0.0446, step 1, values float32  
Log from Wed Nov 27 09:59:35 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Ub_states_movie.cxs""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened P64_W2_J50_tightTarget.mrc as #1, grid size 512,512,512, pixel 0.74,
shown at level 0.0301, step 1, values float32  
Opened P64_W2_J50_tightTarget.mrc copy as #4, grid size 512,512,512, pixel
0.74, shown at level 0.0641, step 1, values float32  
Opened cryosparc_P1_DeepEmhancer_J202_highres.mrc as #5, grid size
512,512,512, pixel 0.74, shown at level 0.113, step 1, values float32  
Log from Fri Nov 22 14:40:20 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_localref.cxs""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened P64_W2_J50_tightTarget.mrc as #1, grid size 512,512,512, pixel 0.74,
shown at level 0.0301, step 1, values float32  
Opened P64_W2_J50_tightTarget.mrc copy as #4, grid size 512,512,512, pixel
0.74, shown at level 0.0641, step 1, values float32  
Log from Thu Oct 31 16:48:37 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open /Users/zbxg977/Desktop/BRISC_Ub5_colouredbychain.cxs

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Log from Tue Oct 8 13:02:45 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured_v4.cxs""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened P64_J12_deepemhancer.mrc copy as #4, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened cryosparc_P64_J40_020_volume_map (1).mrc as #6, grid size 512,512,512,
pixel 0.74, shown at level 0.154, step 1, values float32  
Log from Wed Oct 2 15:29:10 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured_v2.cxs""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened P64_J12_deepemhancer.mrc copy as #4, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Log from Tue Oct 1 13:16:34 2024UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured.cxs""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Opened P64_J12_deepemhancer.mrc copy as #4, grid size 512,512,512, pixel 0.74,
shown at level 0.04, step 1, values float32  
Log from Wed Sep 4 11:11:03 2024 Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_46/P64_J12_model-
> coot-48.pdb

Chain information for P64_J12_model-coot-48.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
L Q | No description available  
M | No description available  
O | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> open ""/Users/zbxg977/Desktop/BRISC_project/CryoSPARC
> processing/P64_W1_J12/Deepemhancer/P64_J12_deepemhancer.mrc""

Opened P64_J12_deepemhancer.mrc as #2, grid size 512,512,512, pixel 0.74,
shown at level 0.00279, step 2, values float32  

> set bgColor white

> lighting soft

> volume #2 step 1

> hide atoms

> show cartoons

> dssp

> volume #2 level 0.02757

> surface dust #2 size 7.4

> hide #!2 models

> colour #1/B,G,X,M #0096FF

> colour #1/A,F,J,W #00F900

> colour #1/H,Y,D,I #9437FF

> colour #1/L,O,Q #FF9300

> colour #1/E,K,N,P #EF4E5D

> show #!2 models

> ui tool show ""Surface Color""

> ui tool show ""Color Zone""

> color zone #2 near #1 distance 4.44

> color zone #2 near #1 distance 4.54

> color zone #2 near #1 distance 4.64

> color zone #2 near #1 distance 4.74

> color zone #2 near #1 distance 4.84

> hide #!1 models

> color zone #2 near #1 distance 4.94

> color zone #2 near #1 distance 5.04

> color zone #2 near #1 distance 5.14

> color zone #2 near #1 distance 5.24

> color zone #2 near #1 distance 5.34

> color zone #2 near #1 distance 5.44

> color zone #2 near #1 distance 5.54

> color zone #2 near #1 distance 5.64

> color zone #2 near #1 distance 5.74

> volume #2 level 0.03

> volume #2 level 0.035

> save ""/Users/zbxg977/Desktop/BRISC_project/Main
> figures/Map_model_coloured.cxs"" includeMaps true

> volume #2 level 0.04

> save /Users/zbxg977/Desktop/image2.png supersample 3

> save /Users/zbxg977/Desktop/image3.png supersample 3

> save /Users/zbxg977/Desktop/image4.png supersample 3

> open 1ubq

1ubq title:  
Structure of ubiquitin refined At 1.8 angstroms resolution [more info...]  
  
Chain information for 1ubq #3  
---  
Chain | Description | UniProt  
A | UBIQUITIN | UBIQ_HUMAN 1-76  
  

> select add #3

660 atoms, 608 bonds, 134 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models #3,1,0,0,22.142,0,1,0,146.55,0,0,1,177.99

> view matrix models #3,1,0,0,85.901,0,1,0,77.699,0,0,1,152.28

> view matrix models #3,1,0,0,106,0,1,0,120.98,0,0,1,189.39

> view matrix models #3,1,0,0,108.09,0,1,0,99.383,0,0,1,182.46

> close #3

> show #!1 models

> hide #!2 models

> select #1/O

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> show sel atoms

> save /Users/zbxg977/4Ub.pdb selectedOnly true relModel #2

> open /Users/zbxg977/Desktop/4Ub.pdb

Summary of feedback from opening /Users/zbxg977/Desktop/4Ub.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 GLU E 104
SER E 106 1 3  
Start residue of secondary structure not found: HELIX 2 2 ALA E 120 VAL E 132
1 13  
Start residue of secondary structure not found: HELIX 3 3 ARG E 133 HIS E 136
1 4  
Start residue of secondary structure not found: HELIX 4 4 PRO E 163 SER E 168
1 6  
Start residue of secondary structure not found: HELIX 5 5 GLU E 184 LYS E 193
1 10  
230 messages similar to the above omitted  
  
Chain information for 4Ub.pdb #3  
---  
Chain | Description  
O | No description available  
  

> hide #!1 models

> select add #1

45135 atoms, 45847 bonds, 43 pseudobonds, 4183 residues, 2 models selected  

> select subtract #1

Nothing selected  

> show #!2 models

> select add #3

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> view matrix models #3,1,0,0,-45.77,0,1,0,-55.623,0,0,1,60.278

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.64657,0.76019,0.063756,122.26,-0.11869,-0.1828,0.97596,39.647,0.75356,0.62346,0.20842,-81.893

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.64657,0.76019,0.063756,133.01,-0.11869,-0.1828,0.97596,51.544,0.75356,0.62346,0.20842,-92.026

> volume #2 level 0.02

> view matrix models
> #3,-0.64657,0.76019,0.063756,131.7,-0.11869,-0.1828,0.97596,48.688,0.75356,0.62346,0.20842,-91.418

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.92486,0.37158,0.081038,254.86,-0.0046565,-0.22413,0.97455,34.504,0.38029,0.90094,0.20902,-70.711

> view matrix models
> #3,-0.99669,0.0074678,0.080982,336.17,0.077958,-0.19583,0.97753,12.84,0.023158,0.98061,0.1946,-14.243

> ui tool show ""Fit in Map""

> fitmap #3 inMap #2

Fit molecule 4Ub.pdb (#3) to map P64_J12_deepemhancer.mrc (#2) using 1034
atoms  
average map value = 0.02144, steps = 152  
shifted from previous position = 3.73  
rotated from previous position = 9.35 degrees  
atoms outside contour = 820, contour level = 0.02  
  
Position of 4Ub.pdb (#3) relative to P64_J12_deepemhancer.mrc (#2)
coordinates:  
Matrix rotation and translation  
-0.98830394 -0.01606640 0.15164823 329.56486754  
0.14821753 -0.33513041 0.93044031 28.20456991  
0.03587311 0.94203475 0.33359202 -29.19789796  
Axis 0.05759369 0.57509586 0.81605620  
Axis point 165.14304010 34.55878631 0.00000000  
Rotation angle (degrees) 174.22298154  
Shift along axis 11.37406101  
  

> hide #!2 models

> show #!1 models

> show #!2 models

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.9883,-0.016066,0.15165,335.85,0.14822,-0.33513,0.93044,32.137,0.035873,0.94203,0.33359,-27.52

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.78284,-0.58586,-0.20959,455.92,-0.24052,-0.025733,0.9703,44.024,-0.57386,0.81,-0.12077,183.11

> view matrix models
> #3,-0.80058,-0.5206,0.29672,371.17,0.27623,0.11879,0.95372,-80.16,-0.53176,0.84549,0.048707,142.93

> ui mousemode right ""translate selected models""

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.87819,-0.058049,0.47478,273.77,0.44528,0.26324,0.85582,-124.88,-0.17466,0.96298,-0.20532,90.305

> fitmap #3 inMap #2

Fit molecule 4Ub.pdb (#3) to map P64_J12_deepemhancer.mrc (#2) using 1034
atoms  
average map value = 0.02942, steps = 84  
shifted from previous position = 2.76  
rotated from previous position = 7.03 degrees  
atoms outside contour = 753, contour level = 0.02  
  
Position of 4Ub.pdb (#3) relative to P64_J12_deepemhancer.mrc (#2)
coordinates:  
Matrix rotation and translation  
-0.86861384 0.06310794 0.49145435 247.47541190  
0.48957680 0.26208308 0.83164116 -131.75136294  
-0.07631871 0.96297967 -0.25854517 77.15930390  
Axis 0.18187306 0.78623263 0.59055943  
Axis point 149.05714988 0.00000000 58.37470019  
Rotation angle (degrees) 158.83395882  
Shift along axis -13.01095516  
  

> volume #2 level 0.015

> hide #!2 models

> show #!2 models

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.86861,0.063108,0.49145,245.67,0.48958,0.26208,0.83164,-132.49,-0.076319,0.96298,-0.25855,78.734

> fitmap #3 inMap #2

Fit molecule 4Ub.pdb (#3) to map P64_J12_deepemhancer.mrc (#2) using 1034
atoms  
average map value = 0.04094, steps = 272  
shifted from previous position = 3.53  
rotated from previous position = 24.2 degrees  
atoms outside contour = 675, contour level = 0.015  
  
Position of 4Ub.pdb (#3) relative to P64_J12_deepemhancer.mrc (#2)
coordinates:  
Matrix rotation and translation  
-0.66115790 0.32526680 0.67607081 131.95953052  
0.72210154 0.03138215 0.69107490 -114.53308250  
0.20356717 0.94510141 -0.25562421 24.27981973  
Axis 0.38068765 0.70810053 0.59470207  
Axis point 100.89632926 0.00000000 43.47460178  
Rotation angle (degrees) 160.51004202  
Shift along axis -16.42631342  
  

> hide #!2 models

> show #!2 models

> view matrix models
> #3,-0.66116,0.32527,0.67607,129.56,0.7221,0.031382,0.69107,-115.04,0.20357,0.9451,-0.25562,25.841

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.81701,0.17495,0.54944,206.56,0.56462,0.43612,0.70072,-160.98,-0.11703,0.88272,-0.4551,129.36

> hide #!2 models

> hide sel atoms

> show sel cartoons

> select subtract #3

Nothing selected  

> hide atoms

> show #!2 models

> select add #3

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.81701,0.17495,0.54944,208.56,0.56462,0.43612,0.70072,-159.01,-0.11703,0.88272,-0.4551,130.17

> view matrix models
> #3,-0.81701,0.17495,0.54944,207.37,0.56462,0.43612,0.70072,-159.4,-0.11703,0.88272,-0.4551,131.11

> view matrix models
> #3,-0.81701,0.17495,0.54944,206.51,0.56462,0.43612,0.70072,-159.88,-0.11703,0.88272,-0.4551,131.78

> hide #!2 models

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.93722,0.21306,0.27609,263.78,0.3343,0.3234,0.88524,-122.21,0.099324,0.92196,-0.37432,70.546

> show #!2 models

> view matrix models
> #3,-0.9119,0.33361,0.23904,242.14,0.32086,0.21634,0.92209,-105.33,0.2559,0.91755,-0.30432,30.568

> hide #!2 models

> show #!2 models

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.9119,0.33361,0.23904,241.56,0.32086,0.21634,0.92209,-103.63,0.2559,0.91755,-0.30432,28.63

> view matrix models
> #3,-0.9119,0.33361,0.23904,242.51,0.32086,0.21634,0.92209,-102.98,0.2559,0.91755,-0.30432,29.306

> view matrix models
> #3,-0.9119,0.33361,0.23904,242.12,0.32086,0.21634,0.92209,-103.19,0.2559,0.91755,-0.30432,29.625

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.87355,0.41506,0.25422,217.34,0.3549,0.18575,0.91626,-103.23,0.33309,0.89063,-0.30957,20.475

> fitmap #3 inMap #2

Fit molecule 4Ub.pdb (#3) to map P64_J12_deepemhancer.mrc (#2) using 1034
atoms  
average map value = 0.04273, steps = 188  
shifted from previous position = 6.11  
rotated from previous position = 27.6 degrees  
atoms outside contour = 691, contour level = 0.015  
  
Position of 4Ub.pdb (#3) relative to P64_J12_deepemhancer.mrc (#2)
coordinates:  
Matrix rotation and translation  
-0.68181384 0.30235068 0.66611857 146.23416859  
0.68338301 -0.06162106 0.72745481 -90.64295049  
0.26099339 0.95120287 -0.16460723 3.10516441  
Axis 0.37323744 0.67579529 0.63560565  
Axis point 98.83947470 0.00000000 27.38301406  
Rotation angle (degrees) 162.55803812  
Shift along axis -4.70235247  
  

> undo

> hide #!2 models

> view matrix models
> #3,-0.71118,0.70096,-0.053665,179.29,0.064186,0.14076,0.98796,-49.463,0.70007,0.69917,-0.1451,-39.754

> view matrix models
> #3,-0.70029,0.71301,-0.034876,172.12,0.066121,0.11343,0.99134,-45.286,0.71079,0.69192,-0.12658,-43.266

> view matrix models
> #3,-0.52247,0.83371,0.17875,83.286,-0.01801,-0.22038,0.97525,35.207,0.85247,0.50632,0.13015,-74.88

> view matrix models
> #3,-0.93075,-0.10152,-0.35128,415.05,-0.13281,0.98894,0.066087,-29.866,0.34068,0.10816,-0.93394,257.72

> view matrix models
> #3,-0.64634,0.57103,0.50613,106.67,0.56883,-0.081552,0.8184,-80.391,0.50861,0.81687,-0.27211,-5.4368

> show #!2 models

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.64634,0.57103,0.50613,107.8,0.56883,-0.081552,0.8184,-80.999,0.50861,0.81687,-0.27211,-7.3342

> view matrix models
> #3,-0.64634,0.57103,0.50613,108.34,0.56883,-0.081552,0.8184,-80.397,0.50861,0.81687,-0.27211,-7.3389

> fitmap #3 inMap #2

Fit molecule 4Ub.pdb (#3) to map P64_J12_deepemhancer.mrc (#2) using 1034
atoms  
average map value = 0.04552, steps = 96  
shifted from previous position = 1.7  
rotated from previous position = 22.8 degrees  
atoms outside contour = 528, contour level = 0.015  
  
Position of 4Ub.pdb (#3) relative to P64_J12_deepemhancer.mrc (#2)
coordinates:  
Matrix rotation and translation  
-0.60159277 0.47587877 0.64158049 97.54037792  
0.45805470 -0.45249689 0.76513558 15.82248234  
0.65442496 0.75417900 0.05424035 -70.47054678  
Axis -0.44628855 -0.52318661 -0.72601811  
Axis point 70.49501793 32.89156096 0.00000000  
Rotation angle (degrees) 179.29666393  
Shift along axis -0.64637166  
  

> hide #!2 models

> show #!2 models

> hide #!2 models

> select subtract #3

Nothing selected  

> select add #3

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> show sel atoms

> save /Users/zbxg977/Desktop/4Ub.pdb models #3 selectedOnly true relModel #2

> close #3

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_46/P64_J12_model-
> coot-49.pdb

Chain information for P64_J12_model-coot-49.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
L Q | No description available  
M | No description available  
O R | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> hide #!1 models

> hide #!3 atoms

> show #!3 cartoons

> dssp

> colour #3/B,G,X,M #0096FF

> colour #3/A,F,J,W #00F900

> colour #3/H,Y,D,I #9437FF

> colour #3/L,O,Q,R #FF9300

> colour #3/E,K,N,P #EF4E5D

> show #!2 models

> ui tool show ""Color Zone""

> color zone #2 near #3 distance 5.74

> hide #!3 models

> volume #2 level 0.035

> hide #!2 models

> show #!3 models

> select #3/O,L,Q

2220 atoms, 2238 bonds, 228 residues, 1 model selected  

> show sel atoms

> save /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_46/Ub3.pdb models
> #3 selectedOnly true relModel #2

> open /Users/zbxg977/Desktop/Ub3.pdb

Summary of feedback from opening /Users/zbxg977/Desktop/Ub3.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 GLU E 104
SER E 106 1 3  
Start residue of secondary structure not found: HELIX 2 2 ALA E 120 VAL E 132
1 13  
Start residue of secondary structure not found: HELIX 3 3 ARG E 133 HIS E 136
1 4  
Start residue of secondary structure not found: HELIX 4 4 PRO E 163 SER E 168
1 6  
Start residue of secondary structure not found: HELIX 5 5 GLU E 184 LYS E 193
1 10  
221 messages similar to the above omitted  
  
Chain information for Ub3.pdb #4  
---  
Chain | Description  
L Q | No description available  
O | No description available  
  

> ui tool show Matchmaker

> matchmaker #4 to #3/R pairing bs

Parameters  
---  
Chain pairing | bs  
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 P64_J12_model-coot-49.pdb, chain R (#3) with Ub3.pdb, chain O (#4),
sequence alignment score = 374  
RMSD between 76 pruned atom pairs is 0.000 angstroms; (across all 76 pairs:
0.000)  
  

> select add #3

46169 atoms, 46887 bonds, 43 pseudobonds, 4259 residues, 2 models selected  

> select subtract #3

Nothing selected  

> select add #3

46169 atoms, 46887 bonds, 43 pseudobonds, 4259 residues, 2 models selected  

> hide sel atoms

> select subtract #3

Nothing selected  

> show #!2 models

> color #2 #b2b2b2dd models

> select add #4

2220 atoms, 2238 bonds, 228 residues, 1 model selected  

> lighting simple

> view matrix models
> #4,-0.60159,0.47588,0.64158,93.534,0.45806,-0.45249,0.76514,14.188,0.65442,0.75418,0.054236,-72.225

> view matrix models
> #4,-0.60159,0.47588,0.64158,92.645,0.45806,-0.45249,0.76514,15.149,0.65442,0.75418,0.054236,-71.708

> view matrix models
> #4,-0.60159,0.47588,0.64158,93.136,0.45806,-0.45249,0.76514,15.699,0.65442,0.75418,0.054236,-73.795

> view matrix models
> #4,-0.60159,0.47588,0.64158,94.386,0.45806,-0.45249,0.76514,15.328,0.65442,0.75418,0.054236,-74.44

> hide #!2 models

> select subtract #4

Nothing selected  

> select #4/L,Q

1186 atoms, 1198 bonds, 152 residues, 1 model selected  

> show sel atoms

> save /Users/zbxg977/Desktop/Ub5_6.pdb models #4 selectedOnly true relModel
> #2

> close #4

> close #1

> close #3

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_46/P64_J12_model-
> coot-50.pdb

Chain information for P64_J12_model-coot-50.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
L Q S T | No description available  
M | No description available  
O R | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> hide atoms

> show cartoons

> colour #1/B,G,X,M #0096FF

> colour #1/A,F,J,W #00F900

> colour #1/H,Y,D,I #9437FF

> colour #1/L,O,Q,R,S,T #FF9300

> colour #1/E,K,N,P #EF4E5D

> dssp

> show #!2 models

> color zone #2 near #1 distance 5.74

> lighting soft

> hide #!1 models

> volume #2 level 0.04

> ui tool show ""Map Eraser""

> select add #3

1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models #3,1,0,0,251.41,0,1,0,177.58,0,0,1,180.61

> view matrix models #3,1,0,0,255.51,0,1,0,182.96,0,0,1,177.37

> view matrix models #3,1,0,0,256.04,0,1,0,181.46,0,0,1,179.8

> volume erase #2 center 256.04,181.46,179.8 radius 13.074

Opened P64_J12_deepemhancer.mrc copy as #4, grid size 512,512,512, pixel 0.74,
shown at step 1, values float32  

> color #4 #b2b2b2ff models

> view matrix models #3,1,0,0,246.66,0,1,0,183.58,0,0,1,182.44

> volume erase #4 center 246.66,183.58,182.44 radius 12.882

> surface dust #4 size 7.4

> view matrix models #3,1,0,0,287.73,0,1,0,151.7,0,0,1,186.47

> view matrix models #3,1,0,0,131.22,0,1,0,184.9,0,0,1,227.76

> view matrix models #3,1,0,0,128.37,0,1,0,188.93,0,0,1,233.07

> volume erase #4 center 128.37,188.93,233.07 radius 12.882

> view matrix models #3,1,0,0,130.5,0,1,0,187.1,0,0,1,229.29

> volume erase #4 center 130.5,187.1,229.29 radius 12.882

> color zone #4 near #1 distance 4.44

> view matrix models #3,1,0,0,157.62,0,1,0,181.5,0,0,1,79.409

> view matrix models #3,1,0,0,162,0,1,0,207.4,0,0,1,79.905

> view matrix models #3,1,0,0,195.48,0,1,0,203.89,0,0,1,88.793

> volume erase #4 center 195.48,203.89,88.793 radius 12.882

> color zone #4 near #1 distance 4.28

> color zone #4 near #1 distance 9.51

[Repeated 1 time(s)]

> view matrix models #3,1,0,0,118.5,0,1,0,217.26,0,0,1,155.6

> view matrix models #3,1,0,0,119.32,0,1,0,224.9,0,0,1,156.18

> view matrix models #3,1,0,0,120.41,0,1,0,224.7,0,0,1,154.87

> volume erase #4 center 120.41,224.7,154.87 radius 12.882

> view matrix models #3,1,0,0,132.73,0,1,0,234.58,0,0,1,160.81

> view matrix models #3,1,0,0,132.69,0,1,0,234.45,0,0,1,160.79

> view matrix models #3,1,0,0,132.7,0,1,0,233.37,0,0,1,158.05

> volume erase #4 center 132.7,233.37,158.05 radius 12.882

> view matrix models #3,1,0,0,199.12,0,1,0,91.549,0,0,1,168.91

> view matrix models #3,1,0,0,225.06,0,1,0,103.46,0,0,1,184.2

> view matrix models #3,1,0,0,225.89,0,1,0,100,0,0,1,191.46

> view matrix models #3,1,0,0,225.33,0,1,0,99.137,0,0,1,194.08

> view matrix models #3,1,0,0,225.33,0,1,0,97.404,0,0,1,193.65

> volume erase #4 center 225.33,97.404,193.65 radius 12.882

> view matrix models #3,1,0,0,224.86,0,1,0,149.52,0,0,1,283.13

> view matrix models #3,1,0,0,211.04,0,1,0,137.18,0,0,1,287.39

> view matrix models #3,1,0,0,209.5,0,1,0,136.2,0,0,1,276.75

> view matrix models #3,1,0,0,211.99,0,1,0,133.21,0,0,1,273.61

> volume erase #4 center 211.99,133.21,273.61 radius 12.882

> view matrix models #3,1,0,0,204.87,0,1,0,143.03,0,0,1,282

> volume erase #4 center 204.87,143.03,282 radius 12.882

> view matrix models #3,1,0,0,225.79,0,1,0,222.83,0,0,1,236.03

> view matrix models #3,1,0,0,206.22,0,1,0,265.74,0,0,1,169.52

> view matrix models #3,1,0,0,206.01,0,1,0,267.32,0,0,1,166.4

> volume erase #4 center 206.01,267.32,166.4 radius 12.882

> view matrix models #3,1,0,0,211.1,0,1,0,201.51,0,0,1,232.99

> view matrix models #3,1,0,0,249.46,0,1,0,178.84,0,0,1,255.3

> view matrix models #3,1,0,0,252.28,0,1,0,177.38,0,0,1,211.75

> color zone #4 near #1 distance 9.66

> color zone #4 near #1 distance 21.47

> hide #3 models

> select subtract #3

Nothing selected  

> save ""/Users/zbxg977/Desktop/BRISC_project/Main
> figures/Map_model_coloured.cxs"" includeMaps true

——— End of log from Wed Sep 4 11:11:03 2024 ———

opened ChimeraX session  

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_55/P64_J12_model-
> coot-51_modified.pdb

Chain information for P64_J12_model-coot-51_modified.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
L Q S T | No description available  
M | No description available  
O R | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> show #!1 models

> hide #!4 models

> select add #3

63902 atoms, 64635 bonds, 43 pseudobonds, 4411 residues, 2 models selected  

> hide sel atoms

> show sel cartoons

> select subtract #3

Nothing selected  

> dssp

> color #3 by #1

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color #3 bychain #1

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> hide #!1 models

> colour #3/B,G,X,M #0096FF

> colour #3/A,F,J,W #00F900

> colour #3/H,Y,D,I #9437FF

> colour #3/L,O,Q,R,S,T #FF9300

> colour #3/E,K,N,P #EF4E5D

> save ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured_v2.cxs"" includeMaps true

——— End of log from Tue Oct 1 13:16:34 2024 ———

opened ChimeraX session  

> open /Users/zbxg977/Desktop/penta_Ub_merged.pdb

Chain information for penta_Ub_merged.pdb #5  
---  
Chain | Description  
A B C L | No description available  
O | No description available  
  

> select add #5

3424 atoms, 3454 bonds, 380 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> color sel orange

> ui mousemode right select

> select clear

> ui tool show Matchmaker

> matchmaker #5 to #3

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 P64_J12_model-coot-51_modified.pdb, chain Q (#3) with
penta_Ub_merged.pdb, chain A (#5), sequence alignment score = 381.3  
RMSD between 76 pruned atom pairs is 0.252 angstroms; (across all 76 pairs:
0.252)  
  

> undo

[Repeated 3 time(s)]

> select subtract #5

Nothing selected  

> hide #5 models

> show #5 models

> close #5

> open /Users/zbxg977/Desktop/penta_Ub_merged.pdb

Chain information for penta_Ub_merged.pdb #5  
---  
Chain | Description  
A B C L | No description available  
O | No description available  
  

> hide #5#!3 atoms

> show #5#!3 cartoons

> ui tool show Matchmaker

> matchmaker #5 to #3/O pairing bs

Parameters  
---  
Chain pairing | bs  
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 P64_J12_model-coot-51_modified.pdb, chain O (#3) with
penta_Ub_merged.pdb, chain O (#5), sequence alignment score = 374  
RMSD between 76 pruned atom pairs is 0.115 angstroms; (across all 76 pairs:
0.115)  
  

> show #!4 models

> open ""/Users/zbxg977/Desktop/cryosparc_P64_J40_020_volume_map (1).mrc""

Opened cryosparc_P64_J40_020_volume_map (1).mrc as #6, grid size 512,512,512,
pixel 0.74, shown at level 0.00718, step 2, values float32  

> volume #6 step 1

> volume #6 level 0.1541

> ui tool show ""Fit in Map""

> fitmap #6 inMap #4

Fit map cryosparc_P64_J40_020_volume_map (1).mrc in map
P64_J12_deepemhancer.mrc copy using 129829 points  
correlation = 0.5054, correlation about mean = 0.1598, overlap = 3273  
steps = 68, shift = 1.22, angle = 0.929 degrees  
  
Position of cryosparc_P64_J40_020_volume_map (1).mrc (#6) relative to
P64_J12_deepemhancer.mrc copy (#4) coordinates:  
Matrix rotation and translation  
0.99997912 -0.00487300 -0.00424498 0.66325650  
0.00493555 0.99987753 0.01485147 -2.81150978  
0.00417209 -0.01487211 0.99988070 2.51382637  
Axis -0.91705127 -0.25968865 0.30261984  
Axis point 0.00000000 149.66536670 175.10960512  
Rotation angle (degrees) 0.92857977  
Shift along axis 0.88261072  
  

> fitmap #5 inMap #6

Fit molecule penta_Ub_merged.pdb (#5) to map cryosparc_P64_J40_020_volume_map
(1).mrc (#6) using 3424 atoms  
average map value = 0.1626, steps = 124  
shifted from previous position = 5.16  
rotated from previous position = 14.8 degrees  
atoms outside contour = 1623, contour level = 0.15407  
  
Position of penta_Ub_merged.pdb (#5) relative to
cryosparc_P64_J40_020_volume_map (1).mrc (#6) coordinates:  
Matrix rotation and translation  
0.99999913 0.00110329 0.00072892 -0.22178002  
-0.00110201 0.99999785 -0.00175506 0.47587376  
-0.00073085 0.00175425 0.99999819 -0.26439380  
Axis 0.79861150 0.33219833 -0.50186048  
Axis point 0.00000000 118.45743317 249.48623484  
Rotation angle (degrees) 0.12588650  
Shift along axis 0.11365719  
  

> hide #!6 models

> hide #!4 models

> select #5/O

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> hide sel cartoons

> select clear

> select #3/L,Q

2394 atoms, 2406 bonds, 152 residues, 1 model selected  

> hide sel cartoons

> select clear

> select #5/A:63

9 atoms, 8 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel byhetero

> style sel stick

Changed 9 atom styles  

> select clear

> select #5

3424 atoms, 3454 bonds, 380 residues, 1 model selected  

> color sel orange

> select #5:63

47 atoms, 42 bonds, 5 residues, 1 model selected  

> show sel atoms

> style sel stick

Changed 47 atom styles  

> select up

464 atoms, 461 bonds, 45 residues, 1 model selected  

> select up

3424 atoms, 3454 bonds, 380 residues, 1 model selected  

> select up

114681 atoms, 116174 bonds, 9202 residues, 9 models selected  

> select up

114681 atoms, 116174 bonds, 9202 residues, 9 models selected  

> select down

3424 atoms, 3454 bonds, 380 residues, 1 model selected  

> select down

464 atoms, 461 bonds, 45 residues, 1 model selected  

> select down

47 atoms, 42 bonds, 5 residues, 1 model selected  

> select down

47 atoms, 42 bonds, 5 residues, 1 model selected  

> select clear

> select #5/O

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> hide sel atoms

> select clear

> color #3,5 byhetero

> select #3/O

1070 atoms, 1076 bonds, 76 residues, 1 model selected  

> select #3/O:63

22 atoms, 21 bonds, 1 residue, 1 model selected  

> show sel atoms

> style sel stick

Changed 22 atom styles  

> select clear

> delete H

> save ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured_v3.cxs"" includeMaps true

> ui tool show ""Side View""

> cartoon style width 1

> cartoon style width 1.5

> select add #5

2929 atoms, 2959 bonds, 380 residues, 1 model selected  

> show sel surfaces

> select clear

> lighting soft

> select #5/O

539 atoms, 545 bonds, 76 residues, 1 model selected  

> hide sel surfaces

> select #3/O

539 atoms, 545 bonds, 76 residues, 1 model selected  

> show sel surfaces

> select clear

> save /Users/zbxg977/Desktop/image1.png supersample 3

> cartoon style thickness 1

> cartoon style thickness 0.8

> cartoon style thickness 0.7

> cartoon style width 2 0.7

Expected a keyword  

> cartoon style width 2

> lighting soft

> lighting full

> lighting simple

> lighting soft

> save /Users/zbxg977/Desktop/image2.png supersample 3

> select add #5

2929 atoms, 2959 bonds, 380 residues, 1 model selected  

> hide sel surfaces

> select #3/O

539 atoms, 545 bonds, 76 residues, 1 model selected  

> hide sel surfaces

> select clear

> save /Users/zbxg977/Desktop/image3.png supersample 3

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_55/P64_J12_model-
> coot-52.pdb

Summary of feedback from opening
/Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_55/P64_J12_model-
coot-52.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 46 46 ILE L
23 GLU L 34 1 12  
Start residue of secondary structure not found: HELIX 47 47 PRO L 38 GLN L 40
5 3  
Start residue of secondary structure not found: HELIX 48 48 SER L 57 TYR L 59
5 3  
Start residue of secondary structure not found: HELIX 49 49 ILE Q 23 GLU Q 34
1 12  
Start residue of secondary structure not found: HELIX 50 50 PRO Q 38 GLN Q 40
5 3  
9 messages similar to the above omitted  
  
Chain information for P64_J12_model-coot-52.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
M | No description available  
O R | No description available  
S T | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> select add #7

61508 atoms, 62229 bonds, 43 pseudobonds, 4259 residues, 2 models selected  

> select subtract #7

Nothing selected  

> hide #!5 models

> select add #7

61508 atoms, 62229 bonds, 43 pseudobonds, 4259 residues, 2 models selected  

> show sel atoms

> close #7

> show #!6 models

> hide #!6 models

> show #!5 models

> open /Users/zbxg977/Desktop/penta_Ub.pdb

Summary of feedback from opening /Users/zbxg977/Desktop/penta_Ub.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 1 1 ILE A 23
LYS A 33 1 11  
Start residue of secondary structure not found: HELIX 2 2 PRO A 38 GLN A 40 1
3  
Start residue of secondary structure not found: HELIX 3 3 SER A 57 TYR A 59 1
3  
Start residue of secondary structure not found: SHEET 1 1 1 GLN A 2 THR A 7 0  
Start residue of secondary structure not found: SHEET 2 2 1 THR A 12 GLU A 16
0  
7 messages similar to the above omitted  
  
Chain information for penta_Ub.pdb  
---  
Chain | Description  
7.1/A 7.2/A 7.3/A 7.4/A 7.6/L | No description available  
7.5/O | No description available  
  

> close #7

> open /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_55/P64_J12_model-
> coot-52.pdb

Chain information for P64_J12_model-coot-52.pdb #7  
---  
Chain | Description  
A B C L S T | No description available  
E K N P | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
M | No description available  
O R | No description available  
Q | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
  

> hide #!5 models

> hide #!3 models

> select add #7

63898 atoms, 64643 bonds, 43 pseudobonds, 4563 residues, 2 models selected  

> hide sel atoms

> show sel cartoons

> select clear

> dssp

> save /Users/zbxg977/Desktop/BRISC_project/Phenix/PDBTools_55/P64_J12_model-
> coot-52.pdb models #7

> colour #7/B,G,X,M #0096FF

> colour #7/A,F,J,W #00F900

> colour #7/H,Y,D,I #9437FF

> colour #7/L,O,Q,R,S,T #FF9300

> colour #7/E,K,N,P #EF4E5D

> colour #7/G,X,M,U #0096FF

> colour #7/Q,F,J,W #00F900

> colour #7/H,Y,D,I,V #9437FF

> colour #7/L,O,R,S,T,C,B,A #FF9300

> colour #7/E,K,N,P #EF4E5D

> cartoon style width 1

> cartoon style width 2

> cartoon style width 1.5

> cartoon style width 2

> open /Users/zbxg977/Desktop/penta_Ub_merged.pdb

Chain information for penta_Ub_merged.pdb #8  
---  
Chain | Description  
A B C L | No description available  
O | No description available  
  

> select add #8

3424 atoms, 3454 bonds, 380 residues, 1 model selected  

> hide sel atoms

> show sel cartoons

> ui tool show Matchmaker

> matchmaker #8 to #7/S pairing bs

Parameters  
---  
Chain pairing | bs  
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 P64_J12_model-coot-52.pdb, chain S (#7) with penta_Ub_merged.pdb,
chain L (#8), sequence alignment score = 373.5  
RMSD between 76 pruned atom pairs is 0.190 angstroms; (across all 76 pairs:
0.190)  
  

> select clear

> select #8/O

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> hide sel atoms

> hide sel cartoons

> select #7/S,T

2394 atoms, 2406 bonds, 152 residues, 1 model selected  

> hide sel cartoons

> color #8 #ff9300ff

> select clear

> save /Users/zbxg977/Desktop/image4.png supersample 3

> hide #8 models

> show #8 models

> save ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Map_model_coloured_v4.cxs"" includeMaps true

——— End of log from Wed Oct 2 15:29:10 2024 ———

opened ChimeraX session  

> lighting simple

> hide #8 models

> show #8 models

> show #!6 models

> hide #!6 models

> show #!1 models

> hide #!1 models

> close #1

> show #!2 models

> hide #!2 models

> close #3

> show #!4 models

> hide #!4 models

> close #4

> show #!5 models

> hide #!5 models

> close #5

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> close #6

> hide #8 models

> show #8 models

> save /Users/zbxg977/Desktop/BRISC_Ub5_colouredbychain.cxs includeMaps true

——— End of log from Tue Oct 8 13:02:45 2024 ———

opened ChimeraX session  

> open ""/Users/zbxg977/Desktop/BRISC_project/CryoSPARC processing
> Ub5/P64_W2_J50/P64_W2_J50_tightTarget.mrc""

Opened P64_W2_J50_tightTarget.mrc as #1, grid size 512,512,512, pixel 0.74,
shown at level 9.17e-05, step 2, values float32  

> hide #8 models

> hide #!7 models

> show #!2 models

> volume #1 step 1

> volume #1 level 0.03755

> volume #1 level 0.04504

> ui tool show ""Fit in Map""

> fitmap #1 inMap #2

Fit map P64_W2_J50_tightTarget.mrc in map P64_J12_deepemhancer.mrc using
199202 points  
correlation = 0.5686, correlation about mean = 0.3003, overlap = 8709  
steps = 48, shift = 0.318, angle = 0.391 degrees  
  
Position of P64_W2_J50_tightTarget.mrc (#1) relative to
P64_J12_deepemhancer.mrc (#2) coordinates:  
Matrix rotation and translation  
0.99997687 -0.00507535 -0.00452680 1.41739114  
0.00507771 0.99998698 0.00051083 -1.00298621  
0.00452415 -0.00053381 0.99998962 -0.85475381  
Axis -0.07657733 -0.66347764 0.74426698  
Axis point 208.59266405 277.12373612 0.00000000  
Rotation angle (degrees) 0.39080851  
Shift along axis -0.07924613  
  

[deleted to fit within ticket limits]


> crossfade

> color #3/V #C0C0C0

> color #3/I dimgrey

> wait 50

> crossfade

> cartoon #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon hide #6/O,L,A,C,B

> wait 50

> roll y 1 360

> wait 390

> roll x -1 90

> wait 100

> crossfade

> color #3/G,Q #0096FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/G,Q dimgray

> wait 50

> crossfade

> color #3/Y,Z #9437FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/Y,Z #C0C0C0

> wait 50

> roll x 1 90

> wait 100

> crossfade

> cartoon hide #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon #6/O,L,A,C,B

> wait 50

> roll y 1 90

> wait 100

> crossfade

> color #3/Q #0096FF

> color #3/Z #9437FF

> wait 50

> wait 50

> crossfade

> color #3/Q dimgray

> color #3/Z #C0C0C0

> wait 50

> crossfade

> color #3/V #0096FF

> color #3/I #9437FF

> wait 50

> wait 50

> crossfade

> color #3/V #C0C0C0

> color #3/I dimgrey

> wait 50

> crossfade

> cartoon #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon hide #6/O,L,A,C,B

> wait 50

> Movie record

Unknown command: Movie record  

> roll y 1 360

> wait 390

> roll x -1 90

> wait 100

> crossfade

> color #3/G,Q #0096FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/G,Q dimgray

> wait 50

> crossfade

> color #3/Y,Z #9437FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/Y,Z #C0C0C0

> wait 50

> roll x 1 90

> wait 100

> crossfade

> cartoon hide #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon #6/O,L,A,C,B

> wait 50

> roll y 1 90

> wait 100

> crossfade

> color #3/Q #0096FF

> color #3/Z #9437FF

> wait 50

> wait 50

> crossfade

> color #3/Q dimgray

> color #3/Z #C0C0C0

> wait 50

> crossfade

> color #3/V #0096FF

> color #3/I #9437FF

> wait 50

> wait 50

> crossfade

> color #3/V #C0C0C0

> color #3/I dimgrey

> wait 50

> wait 100

> movie encode

No frames have been recorded  

> crossfade

> cartoon #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon hide #6/O,L,A,C,B

> wait 50

> Movie start

Unknown command: Movie start  

> roll y 1 360

> wait 390

> roll x -1 90

> wait 100

> crossfade

> color #3/G,Q #0096FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/G,Q dimgray

> wait 50

> crossfade

> color #3/Y,Z #9437FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/Y,Z #C0C0C0

> wait 50

> roll x 1 90

> wait 100

> crossfade

> cartoon hide #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon #6/O,L,A,C,B

> wait 50

> roll y 1 90

> wait 100

> crossfade

> color #3/Q #0096FF

> color #3/Z #9437FF

> wait 50

> wait 50

> crossfade

> color #3/Q dimgray

> color #3/Z #C0C0C0

> wait 50

> crossfade

> color #3/V #0096FF

> color #3/I #9437FF

> wait 50

> wait 50

> crossfade

> color #3/V #C0C0C0

> color #3/I dimgrey

> wait 50

> wait 100

> movie encode

No frames have been recorded  

> crossfade

> cartoon #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon hide #6/O,L,A,C,B

> wait 50

> movie record

> roll y 1 360

> wait 390

> roll x -1 90

> wait 100

> crossfade

> color #3/G,Q #0096FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/G,Q dimgray

> wait 50

> crossfade

> color #3/Y,Z #9437FF

> wait 50

[Repeated 1 time(s)]

> crossfade

> color #3/Y,Z #C0C0C0

> wait 50

> roll x 1 90

> wait 100

> crossfade

> cartoon hide #3/O,L,D,C,B

> wait 50

> crossfade

> cartoon #6/O,L,A,C,B

> wait 50

> roll y 1 90

> wait 100

> crossfade

> color #3/Q #0096FF

> color #3/Z #9437FF

> wait 50

> wait 50

> crossfade

> color #3/Q dimgray

> color #3/Z #C0C0C0

> wait 50

> crossfade

> color #3/V #0096FF

> color #3/I #9437FF

> wait 50

> wait 50

> crossfade

> color #3/V #C0C0C0

> color #3/I dimgrey

> wait 50

> wait 100

> movie encode

Movie saved to /Users/zbxg977/Desktop/movie.mp4  
  

> save ""/Users/zbxg977/Desktop/BRISC_project/Main figures/Figure
> 2/Ub_states_movie.cxs"" includeMaps true

——— End of log from Fri Nov 22 14:40:20 2024 ———

opened ChimeraX session  

> close #7

> show #!5 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> close #1-2

> close #4-5

> hide #!8 models

> show #!8 models

> hide #6 models

> show #6 models

> select add #3

53424 atoms, 54081 bonds, 43 pseudobonds, 4083 residues, 2 models selected  

> show sel cartoons

> hide #6 models

> select subtract #3

22 models selected  

> show #6 models

> hide #6 models

> hide #!8 models

> show #!8 models

> select #8/L,T

584 atoms, 590 bonds, 76 residues, 1 model selected  

> select #8/L,C

1186 atoms, 1198 bonds, 152 residues, 1 model selected  

> hide sel cartoons

> select add #8

3424 atoms, 3454 bonds, 380 residues, 3 models selected  

> select subtract #8

5 models selected  

> open ""/Users/zbxg977/Desktop/BRISC_project/CryoSPARC processing
> Ub5/Composite_map_v1.mrc""

Opened Composite_map_v1.mrc as #1, grid size 881,854,755, pixel
0.74,0.74,0.74, shown at step 1, values float32  

> volume #1 level 0,0 level 0.01661,0.8 level 1.287,1

> volume #1 level 0,1 level 0.01661,0.8 level 1.287,1

> volume #1 region 0,0,0,880,853,754 step 4

[Repeated 1 time(s)]

> volume #1 step 1

> hide #!1 models

> show #!1 models

> volume #1 level 0,1 level 0,0 level 1.287,1

> volume #1 level 0,1 level 0,0 level 1.322,0

> volume planes z style image imageMode ""full region""

> mousemode rightMode ""move planes""

> volume planes z style image imageMode ""full region""

> mousemode rightMode ""move planes""

> volume planes z style image imageMode ""full region""

> mousemode rightMode ""move planes""

> volume style surface

> volume region all imageMode ""full region""

> volume unzone

> mousemode rightMode ""crop volume""

Volume zone shortcut requires 1 displayed atomic model and 1 map, got 2 atomic
models, 1 maps.  

> volume #1 orthoplanes xyz positionPlanes 440,427,377 style image region all

> mousemode rightMode ""move planes""

> volume style surface

> volume #1 level 0.04462

> surface dust #1 size 7.4

> ui tool show ""Side View""

> ui tool show ""Fit in Map""

> fitmap #3 inMap #1

Fit molecule P64_J12_model-coot-56.pdb (#3) to map Composite_map_v1.mrc (#1)
using 53424 atoms  
average map value = 0.2036, steps = 252  
shifted from previous position = 23.8  
rotated from previous position = 6.84 degrees  
atoms outside contour = 19147, contour level = 0.044618  
  
Position of P64_J12_model-coot-56.pdb (#3) relative to Composite_map_v1.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.99999824 -0.00034178 0.00184313 -0.29642060  
0.00034053 0.99999971 0.00068229 -0.21302121  
-0.00184336 -0.00068166 0.99999807 0.51592373  
Axis -0.34188411 0.92404809 0.17102743  
Axis point 280.38615462 0.00000000 162.43947673  
Rotation angle (degrees) 0.11429067  
Shift along axis -0.00726324  
  

> fitmap #8 inMap #1

Fit molecule penta_Ub_merged.pdb (#8) to map Composite_map_v1.mrc (#1) using
3424 atoms  
average map value = 0.144, steps = 232  
shifted from previous position = 18.2  
rotated from previous position = 20.5 degrees  
atoms outside contour = 1522, contour level = 0.044618  
  
Position of penta_Ub_merged.pdb (#8) relative to Composite_map_v1.mrc (#1)
coordinates:  
Matrix rotation and translation  
-0.65356489 0.44939063 0.60901642 118.65823822  
0.44163674 -0.42703489 0.78904891 10.59241835  
0.61466245 0.78465869 0.08062760 -72.88467696  
Axis -0.41618722 -0.53523602 -0.73505823  
Axis point 79.98021623 31.62011254 0.00000000  
Rotation angle (degrees) 179.69780160  
Shift along axis -1.47900474  
  

> transparency 0

> transparency 50

> close #6

> transparency 0

> dssp

> volume showOutlineBox false

> hide #!1 models

> select #8/O

1034 atoms, 1040 bonds, 76 residues, 1 model selected  

> hide sel cartoons

> select add #8

3424 atoms, 3454 bonds, 380 residues, 2 models selected  

> select subtract #8

5 models selected  

> save ""/Users/zbxg977/Desktop/BRISC_project/CryoSPARC processing
> Ub5/Map_model_Ub5_27Nov2024.cxs"" includeMaps true

——— End of log from Wed Nov 27 09:59:35 2024 ———

opened ChimeraX session  

> save /Users/sxfp8838/Library/CloudStorage/OneDrive-
> UniversityofLeeds/BRISC/BRISC.cxs

——— End of log from Tue Feb 18 11:20:33 2025 ———

opened ChimeraX session  

> select #3/N:309

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

45 atoms, 45 bonds, 3 residues, 2 models selected  

> select up

3760 atoms, 3805 bonds, 237 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

3760 atoms, 3805 bonds, 237 residues, 23 models selected  

> color (#!3 & sel) #ff8ad8ff

[Repeated 1 time(s)]

> color (#!3 & sel) #fc7d78ff

[Repeated 1 time(s)]

> select #3/A:281

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

42 atoms, 42 bonds, 5 residues, 2 models selected  

> select up

1839 atoms, 1884 bonds, 231 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

1839 atoms, 1884 bonds, 231 residues, 23 models selected  

> color (#!3 & sel) #fc7d78ff

> select #3/Z:383

20 atoms, 19 bonds, 1 residue, 1 model selected  

> select up

351 atoms, 356 bonds, 22 residues, 2 models selected  

> select up

3987 atoms, 4047 bonds, 251 residues, 2 models selected  

> select up

4001 atoms, 4060 bonds, 253 residues, 2 models selected  

> select up

4600 atoms, 4672 bonds, 314 residues, 2 models selected  

> select up

4761 atoms, 4831 bonds, 330 residues, 2 models selected  

> select up

4866 atoms, 4939 bonds, 340 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

4866 atoms, 4939 bonds, 340 residues, 23 models selected  

> color (#!3 & sel) #9838ffff

> color (#!3 & sel) #9437ffff

[Repeated 1 time(s)]

> select #3/G:145

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/Q:88

Nothing selected  

> select #3/Q:145

Nothing selected  

> select #3/G:134

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

188 atoms, 187 bonds, 14 residues, 2 models selected  

> select up

1601 atoms, 1620 bonds, 110 residues, 2 models selected  

> select up

1640 atoms, 1657 bonds, 113 residues, 2 models selected  

> select up

3743 atoms, 3777 bonds, 250 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 43 pseudobonds, 4083 residues, 24 models selected  

> select down

53424 atoms, 54081 bonds, 4083 residues, 23 models selected  

> select down

3743 atoms, 3777 bonds, 250 residues, 23 models selected  

> color (#!3 & sel) #28a3ffff

> color (#!3 & sel) #2bb3ffff

> color (#!3 & sel) #2799ffff

> color (#!3 & sel) #28a2ffff

> color (#!3 & sel) #0096ffff

> color (#!3 & sel) #0433ffff

> color (#!3 & sel) #0096ffff

> color (#!3 & sel) #76d6ffff

> color (#!3 & sel) #0096ffff

> color (#!3 & sel) #005493ff

> color (#!3 & sel) #0096ffff

> color (#!3 & sel) #125895ff

> color (#!3 & sel) #2591f6ff

> color (#!3 & sel) #0096ffff

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> style sel stick

Changed 7 atom styles  

> show sel atoms

> show sel cartoons

> show sel surfaces

> hide sel surfaces

> style sel stick

Changed 7 atom styles  

> style sel sphere

Changed 7 atom styles  

> style sel ball

Changed 7 atom styles  

> hbonds sel reveal true

0 hydrogen bonds found  

> hbonds sel reveal true

0 hydrogen bonds found  

> ~hbonds

> style sel stick

Changed 7 atom styles  

> hbonds sel reveal true

0 hydrogen bonds found  

> ~hbonds

> select #3/B:25

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

98 atoms, 96 bonds, 12 residues, 2 models selected  

> select up

272 atoms, 272 bonds, 35 residues, 2 models selected  

> select up

287 atoms, 287 bonds, 37 residues, 2 models selected  

> select up

602 atoms, 606 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

602 atoms, 606 bonds, 76 residues, 23 models selected  

> show sel atoms

> hide sel atoms

> style sel sphere

Changed 602 atom styles  

> style sel sphere

Changed 602 atom styles  

> show sel atoms

> style sel stick

Changed 602 atom styles  

> hide sel atoms

> show sel surfaces

> select #3/O:69

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select up

85 atoms, 85 bonds, 5 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

1070 atoms, 1076 bonds, 76 residues, 23 models selected  

> show sel surfaces

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> style sel ball

Changed 7 atom styles  

> color (#!3 & sel) blue

> select #3/F:248

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

639 atoms, 640 bonds, 47 residues, 2 models selected  

> select up

1049 atoms, 1056 bonds, 80 residues, 2 models selected  

> select up

1319 atoms, 1327 bonds, 98 residues, 2 models selected  

> select up

2901 atoms, 2929 bonds, 195 residues, 2 models selected  

> select up

2925 atoms, 2952 bonds, 197 residues, 2 models selected  

> select up

3369 atoms, 3402 bonds, 229 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

3369 atoms, 3402 bonds, 229 residues, 23 models selected  

> color (#!3 & sel) lime

> select #3/M:222

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select up

472 atoms, 473 bonds, 41 residues, 2 models selected  

> select up

934 atoms, 941 bonds, 75 residues, 2 models selected  

> select up

1124 atoms, 1132 bonds, 89 residues, 2 models selected  

> select up

1888 atoms, 1907 bonds, 154 residues, 2 models selected  

> select up

1906 atoms, 1924 bonds, 156 residues, 2 models selected  

> select up

2009 atoms, 2030 bonds, 163 residues, 2 models selected  

> select up

2382 atoms, 2408 bonds, 192 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

2382 atoms, 2408 bonds, 192 residues, 23 models selected  

> color (#!3 & sel) lime

> select #3/Q:306

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

363 atoms, 366 bonds, 31 residues, 2 models selected  

> select up

1386 atoms, 1399 bonds, 100 residues, 2 models selected  

> select up

1538 atoms, 1556 bonds, 112 residues, 2 models selected  

> select up

1838 atoms, 1861 bonds, 140 residues, 2 models selected  

> select up

1869 atoms, 1891 bonds, 142 residues, 2 models selected  

> select up

2009 atoms, 2033 bonds, 151 residues, 2 models selected  

> select up

2045 atoms, 2068 bonds, 155 residues, 2 models selected  

> select up

2420 atoms, 2446 bonds, 183 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

2420 atoms, 2446 bonds, 183 residues, 23 models selected  

> color (#!3 & sel) #0096ffff

> select #3/I:122

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select up

320 atoms, 322 bonds, 19 residues, 2 models selected  

> select up

4963 atoms, 5054 bonds, 383 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

4963 atoms, 5054 bonds, 383 residues, 23 models selected  

> color (#!3 & sel) #9437ffff

> select #3/J:122

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select up

256 atoms, 258 bonds, 16 residues, 2 models selected  

> select up

1430 atoms, 1454 bonds, 100 residues, 2 models selected  

> select up

1465 atoms, 1487 bonds, 104 residues, 2 models selected  

> select up

1838 atoms, 1864 bonds, 132 residues, 2 models selected  

> select up

2185 atoms, 2211 bonds, 161 residues, 2 models selected  

> select up

4726 atoms, 4795 bonds, 322 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

4726 atoms, 4795 bonds, 322 residues, 23 models selected  

> color (#!3 & sel) #9437ffff

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> select #3/B:36@CD1

1 atom, 1 residue, 1 model selected  

> select #3/J:298

14 atoms, 13 bonds, 1 residue, 1 model selected  

> select #3/Y:9

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select up

106 atoms, 106 bonds, 8 residues, 2 models selected  

> select up

565 atoms, 568 bonds, 44 residues, 2 models selected  

> select up

602 atoms, 604 bonds, 47 residues, 2 models selected  

> select up

723 atoms, 727 bonds, 53 residues, 2 models selected  

> select up

808 atoms, 812 bonds, 60 residues, 2 models selected  

> select up

2035 atoms, 2062 bonds, 151 residues, 2 models selected  

> select up

2247 atoms, 2275 bonds, 168 residues, 2 models selected  

> select up

4056 atoms, 4129 bonds, 351 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

4056 atoms, 4129 bonds, 351 residues, 23 models selected  

> color (#!3 & sel) #9437ffff

> select #3/U:137

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

178 atoms, 180 bonds, 14 residues, 2 models selected  

> select up

631 atoms, 639 bonds, 46 residues, 2 models selected  

> select up

943 atoms, 951 bonds, 69 residues, 2 models selected  

> select up

1303 atoms, 1319 bonds, 94 residues, 2 models selected  

> select up

1574 atoms, 1591 bonds, 114 residues, 2 models selected  

> select up

2313 atoms, 2337 bonds, 178 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 43 pseudobonds, 4083 residues, 24 models selected  

> select up

53424 atoms, 54081 bonds, 43 pseudobonds, 4083 residues, 24 models selected  

> select down

43 pseudobonds, 23 models selected  

> select #3/U:137

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

178 atoms, 180 bonds, 14 residues, 2 models selected  

> select up

631 atoms, 639 bonds, 46 residues, 2 models selected  

> select up

943 atoms, 951 bonds, 69 residues, 2 models selected  

> select up

1303 atoms, 1319 bonds, 94 residues, 2 models selected  

> select up

1574 atoms, 1591 bonds, 114 residues, 2 models selected  

> select up

2313 atoms, 2337 bonds, 178 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

2313 atoms, 2337 bonds, 178 residues, 23 models selected  

> color (#!3 & sel) lime

> select #3/V:262

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select up

329 atoms, 330 bonds, 22 residues, 2 models selected  

> select up

1237 atoms, 1249 bonds, 91 residues, 2 models selected  

> select up

1558 atoms, 1577 bonds, 116 residues, 2 models selected  

> select up

1653 atoms, 1673 bonds, 124 residues, 2 models selected  

> select up

1660 atoms, 1679 bonds, 125 residues, 2 models selected  

> select up

1997 atoms, 2019 bonds, 152 residues, 2 models selected  

> select up

1998 atoms, 2019 bonds, 153 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

1998 atoms, 2019 bonds, 153 residues, 23 models selected  

> ui tool show ""Color Actions""

> color (#!3 & sel) #0096ffff

> select #3/X:262

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select up

329 atoms, 330 bonds, 22 residues, 2 models selected  

> select up

1411 atoms, 1424 bonds, 100 residues, 2 models selected  

> select up

1657 atoms, 1671 bonds, 116 residues, 2 models selected  

> select up

1715 atoms, 1730 bonds, 119 residues, 2 models selected  

> select up

2709 atoms, 2735 bonds, 200 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

2709 atoms, 2735 bonds, 200 residues, 23 models selected  

> color (#!3 & sel) #0096ffff

> select #3/W:237

11 atoms, 10 bonds, 1 residue, 1 model selected  

> select up

605 atoms, 606 bonds, 44 residues, 2 models selected  

> select up

787 atoms, 789 bonds, 57 residues, 2 models selected  

> select up

794 atoms, 795 bonds, 58 residues, 2 models selected  

> select up

927 atoms, 929 bonds, 68 residues, 2 models selected  

> select up

1285 atoms, 1288 bonds, 92 residues, 2 models selected  

> select up

2872 atoms, 2895 bonds, 189 residues, 2 models selected  

> select up

2904 atoms, 2926 bonds, 191 residues, 2 models selected  

> select up

3353 atoms, 3381 bonds, 223 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

3353 atoms, 3381 bonds, 223 residues, 23 models selected  

> color (#!3 & sel) lime

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> select #3/G:88@CB

1 atom, 1 residue, 1 model selected  

> color (#!3 & sel) cyan

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> select #3/G:88@CB

1 atom, 1 residue, 1 model selected  

> color (#!3 & sel) #ff2600ff

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> color (#!3 & sel) #ff2600ff

> select #3/X:290

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select #3/G:88@CA

1 atom, 1 residue, 1 model selected  

> color (#!3 & sel) #0096ffff

> select #3/G:88@CB

1 atom, 1 residue, 1 model selected  

> color (#!3 & sel) #0096ffff

> select #3/G:129

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select #3/G:145

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select #3/G:145

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select #3/G:88@CB

1 atom, 1 residue, 1 model selected  

> show sel atoms

> hide sel atoms

> select #3/G:145

17 atoms, 16 bonds, 1 residue, 1 model selected  

> show sel atoms

> color bfactor sel

17 atoms, 1 residues, 1 surfaces, atom bfactor range 64.7 to 84.5  

> color bfactor sel

17 atoms, 1 residues, 1 surfaces, atom bfactor range 64.7 to 84.5  

> nucleotides sel atoms

> style nucleic & sel stick

Changed 0 atom styles  

> show sel atoms

> hide sel atoms

> show sel atoms

> style sel ball

Changed 17 atom styles  

> hide sel atoms

> show sel atoms

> lighting simple

> ui tool show ""Side View""

[Repeated 2 time(s)]

> view

> color (#!3 & sel) red

> view sel

> view

> ui tool show ""Side View""

> select #3/X:215

14 atoms, 14 bonds, 1 residue, 1 model selected  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  
Drag select of P64_J12_model-coot-56.pdb_O SES surface, 70 of 93436 triangles,
2 residues  

> select #3/G:145

17 atoms, 16 bonds, 1 residue, 1 model selected  

> hide sel atoms

> color (#!3 & sel) #0096ffff

> select #3/O:34@CB

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 6 bonds, 1 residue, 2 models selected  

> select up

102 atoms, 103 bonds, 8 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

1070 atoms, 1076 bonds, 76 residues, 23 models selected  

> select down

102 atoms, 103 bonds, 8 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> nucleotides sel atoms

> style nucleic & sel stick

Changed 0 atom styles  

> hide sel surfaces

> select #3/B:66@N

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 6 bonds, 1 residue, 2 models selected  

> select up

48 atoms, 48 bonds, 6 residues, 2 models selected  

> select up

330 atoms, 334 bonds, 41 residues, 2 models selected  

> select up

334 atoms, 337 bonds, 42 residues, 2 models selected  

> select up

369 atoms, 372 bonds, 46 residues, 2 models selected  

> select up

432 atoms, 434 bonds, 54 residues, 2 models selected  

> select up

602 atoms, 606 bonds, 76 residues, 2 models selected  

> select down

432 atoms, 434 bonds, 54 residues, 2 models selected  

> hide sel surfaces

> select up

602 atoms, 606 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> select #3/Y:140

20 atoms, 20 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/D:25

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

98 atoms, 97 bonds, 12 residues, 2 models selected  

> select up

602 atoms, 608 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

602 atoms, 608 bonds, 76 residues, 23 models selected  

> show sel surfaces

> ui tool show ""Side View""

> select #3/D:8@CD2

1 atom, 1 residue, 1 model selected  

> select #3/Y:140

20 atoms, 20 bonds, 1 residue, 1 model selected  

> view sel

[Repeated 2 time(s)]

> view

> color (#!3 & sel) red

> select #3/L:19

7 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

44 atoms, 44 bonds, 6 residues, 2 models selected  

> select up

584 atoms, 590 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

584 atoms, 590 bonds, 76 residues, 23 models selected  

> show sel cartoons

> show sel surfaces

> hide sel surfaces

> select #3/Y:71

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select #3/Y:140

20 atoms, 20 bonds, 1 residue, 1 model selected  

> hide sel atoms

> color (#!3 & sel) #9437ffff

> select #3/D:16@N

1 atom, 1 residue, 1 model selected  

> select up

9 atoms, 8 bonds, 1 residue, 2 models selected  

> select up

39 atoms, 38 bonds, 5 residues, 2 models selected  

> select up

602 atoms, 608 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> select #3/G:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select #3/G:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select #3/G:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> view sel

> view

> select #3/f:33

24 atoms, 23 bonds, 1 residue, 1 model selected  

> view sel

> select #3/Q:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> view sel

> view

> show sel atoms

> color (#!3 & sel) orange red

> color (#!3 & sel) red

> select #3/G:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> view sel

> show sel atoms

> color (#!3 & sel) red

> view

> select #3/Q:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> ui tool show ""Color Actions""

> color (#!3 & sel) #0096ffff

> hide sel atoms

> select #3/O:25

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

168 atoms, 167 bonds, 11 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

1070 atoms, 1076 bonds, 76 residues, 23 models selected  

> show sel surfaces

> select #3/B:15

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

39 atoms, 38 bonds, 5 residues, 2 models selected  

> select up

233 atoms, 234 bonds, 30 residues, 2 models selected  

> select up

268 atoms, 268 bonds, 34 residues, 2 models selected  

> select up

272 atoms, 272 bonds, 35 residues, 2 models selected  

> select up

287 atoms, 287 bonds, 37 residues, 2 models selected  

> select up

602 atoms, 606 bonds, 76 residues, 2 models selected  

> show sel surfaces

> select #3/L:14

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

37 atoms, 36 bonds, 5 residues, 2 models selected  

> select up

584 atoms, 590 bonds, 76 residues, 2 models selected  

> show sel surfaces

> select #3/A:161

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select #3/G:89

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/L:20@N

1 atom, 1 residue, 1 model selected  

> select down

1 atom, 1 residue, 2 models selected  

> select down

1 atom, 1 residue, 2 models selected  

> select up

6 atoms, 5 bonds, 1 residue, 2 models selected  

> select up

44 atoms, 44 bonds, 6 residues, 2 models selected  

> select up

584 atoms, 590 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> style sel ball

Changed 584 atom styles  

> style sel ball

Changed 584 atom styles  

> select clear

> style sel ball

Changed 0 atom styles  

> style sel ball

Changed 0 atom styles  

> style sel stick

Changed 0 atom styles  

> style sel ball

Changed 0 atom styles  

> select #3/G:88

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #3/G:89

7 atoms, 6 bonds, 1 residue, 1 model selected  

> hide sel atoms

> select #3/G:33

10 atoms, 9 bonds, 1 residue, 1 model selected  

> hide sel atoms

> color (#!3 & sel) #0096ffff

> select #3/G:88@CB

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> select #3/B:49@NE2

1 atom, 1 residue, 1 model selected  

> select up

9 atoms, 8 bonds, 1 residue, 2 models selected  

> select up

93 atoms, 93 bonds, 12 residues, 2 models selected  

> select up

330 atoms, 334 bonds, 41 residues, 2 models selected  

> select up

334 atoms, 337 bonds, 42 residues, 2 models selected  

> select up

369 atoms, 372 bonds, 46 residues, 2 models selected  

> select up

432 atoms, 434 bonds, 54 residues, 2 models selected  

> select up

602 atoms, 606 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

602 atoms, 606 bonds, 76 residues, 23 models selected  

> hide sel surfaces

> select #3/O:45@CE1

1 atom, 1 residue, 1 model selected  

> select up

20 atoms, 20 bonds, 1 residue, 2 models selected  

> select up

279 atoms, 280 bonds, 21 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> select #3/Y:263

20 atoms, 20 bonds, 1 residue, 1 model selected  

> show sel atoms

> color (#!3 & sel) red

> select #3/Y:320

11 atoms, 10 bonds, 1 residue, 1 model selected  

> show sel atoms

> color (#!3 & sel) red

> style sel ball

Changed 11 atom styles  

> select #3/Y:263

20 atoms, 20 bonds, 1 residue, 1 model selected  

> style sel ball

Changed 20 atom styles  

> select #3/L:57

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

26 atoms, 26 bonds, 3 residues, 2 models selected  

> select up

584 atoms, 590 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

584 atoms, 590 bonds, 76 residues, 23 models selected  

> show sel surfaces

> select #3/O:20

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select up

65 atoms, 65 bonds, 6 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> show sel surfaces

> select #3/D:29

9 atoms, 8 bonds, 1 residue, 1 model selected  

> select up

98 atoms, 97 bonds, 12 residues, 2 models selected  

> select up

602 atoms, 608 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

602 atoms, 608 bonds, 76 residues, 23 models selected  

> show sel surfaces

> select #3/F:133

19 atoms, 18 bonds, 1 residue, 1 model selected  

> select #3/Y:320

11 atoms, 10 bonds, 1 residue, 1 model selected  

> hide sel atoms

> color (#!3 & sel) #9437ffff

> select #3/Y:263

20 atoms, 20 bonds, 1 residue, 1 model selected  

> color (#!3 & sel) #9437ffff

> hide sel atoms

> select #3/D:58@OD2

1 atom, 1 residue, 1 model selected  

> select up

8 atoms, 7 bonds, 1 residue, 2 models selected  

> select up

26 atoms, 26 bonds, 3 residues, 2 models selected  

> select up

602 atoms, 608 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> select #3/L:1@CB

1 atom, 1 residue, 1 model selected  

> select up

5 atoms, 4 bonds, 1 residue, 2 models selected  

> select up

584 atoms, 590 bonds, 76 residues, 2 models selected  

> select up

53424 atoms, 54081 bonds, 4083 residues, 2 models selected  

> select down

584 atoms, 590 bonds, 76 residues, 23 models selected  

> hide sel surfaces

> select #3/O:32@O

1 atom, 1 residue, 1 model selected  

> select up

7 atoms, 6 bonds, 1 residue, 2 models selected  

> select up

168 atoms, 167 bonds, 11 residues, 2 models selected  

> select up

1070 atoms, 1076 bonds, 76 residues, 2 models selected  

> hide sel surfaces

> save ""/Users/sxfp8838/OneDrive - University of Leeds/BRISC/BRISC coloured
> .cxs""

——— End of log from Tue Feb 25 14:10:22 2025 ———

opened ChimeraX session  




OpenGL version: 4.1 Metal - 89.3
OpenGL renderer: Apple M3 Pro
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: Mac15,6
      Model Number: MRX33B/A
      Chip: Apple M3 Pro
      Total Number of Cores: 11 (5 performance and 6 efficiency)
      Memory: 18 GB
      System Firmware Version: 11881.81.4
      OS Loader Version: 11881.81.4

Software:

    System Software Overview:

      System Version: macOS 15.3.1 (24D70)
      Kernel Version: Darwin 24.3.0
      Time since boot: 35 days, 3 hours, 46 minutes

Graphics/Displays:

    Apple M3 Pro:

      Chipset Model: Apple M3 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 14
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        PL2783Q:
          Resolution: 2560 x 1440 (QHD/WQHD - Wide Quad High Definition)
          UI Looks like: 2560 x 1440 @ 60.00Hz
          Main Display: Yes
          Mirror: On
          Mirror Status: Master Mirror
          Online: Yes
          Rotation: Supported
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Mirror: On
          Mirror Status: Hardware Mirror
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.1
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    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: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-PDB: 2.7.2
    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: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    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: 1.10.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.1
    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: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.2.22
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    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: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    zipp: 3.15.0
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
