Opened 2 years ago
Closed 2 years ago
#9442 closed defect (can't reproduce)
Crash deleting tool
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | UI | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-13.0-arm64-arm-64bit
ChimeraX Version: 1.5 (2022-11-24 00:03:27 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Bus error
Current thread 0x00000001e3066500 (most recent call first):
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 2301 in destroy
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 2165 in _destroy
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 772 in remove_tool
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 335 in remove_tool
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/tools.py", line 154 in delete
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/tools.py", line 292 in reset_state
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/session.py", line 541 in reset
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/session.py", line 700 in restore
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/session.py", line 1004 in open
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core_formats/__init__.py", line 26 in open
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/open_command/cmd.py", line 428 in remember_data_format
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/open_command/cmd.py", line 458 in collated_open
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/open_command/cmd.py", line 193 in provider_open
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/cli.py", line 2897 in run
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/open_command/cmd.py", line 118 in cmd_open
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/cli.py", line 2897 in run
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/run.py", line 38 in run
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/open_command/dialog.py", line 162 in _qt_safe
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 283 in event_loop
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 884 in init
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 1035 in
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code
File "/Volumes/ChimeraXInstaller/ChimeraX-1.5.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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"name" : "QtCore.abi3.so"
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"path" : "\/Volumes\/VOLUME\/ChimeraX-1.5.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/lib\/QtCore.framework\/Versions\/A\/QtCore",
"name" : "QtCore"
},
{
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"path" : "\/Volumes\/VOLUME\/ChimeraX-1.5.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.9\/lib\/python3.9\/site-packages\/PyQt6\/Qt6\/plugins\/platforms\/libqcocoa.dylib",
"name" : "libqcocoa.dylib"
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{
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"arch" : "arm64e",
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"CFBundleIdentifier" : "com.apple.CoreFoundation",
"size" : 5079040,
"uuid" : "da41d167-77ad-3bee-8a4c-ccc1399ee15e",
"path" : "\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation",
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"name" : "HIToolbox"
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"path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit",
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"source" : "A",
"base" : 0,
"uuid" : "00000000-0000-0000-0000-000000000000"
}
],
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"legacyInfo" : {
"threadTriggered" : {
"name" : "CrBrowserMain",
"queue" : "com.apple.main-thread"
}
},
"trialInfo" : {
"rollouts" : [
{
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"factorPackIds" : {
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},
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},
{
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],
"experiments" : [
{
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"experimentId" : "6317d2003d24842ff850182a",
"deploymentId" : 400000013
}
]
},
"reportNotes" : [
"dyld_process_snapshot_create_for_process failed with 5"
]
}
===== Log before crash start =====
UCSF ChimeraX version: 1.5 (2022-11-24)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__UBP41_HUMAN__998aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb"
Chain information for
MYB_HUMAN__UBP41_HUMAN__998aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb
#1
---
Chain | Description
A | No description available
B | No description available
> ui tool show "AlphaFold Error Plot"
> alphafold pae #1 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__UBP41_HUMAN__998aa_scores_rank_001_alphafold2_multimer_v3_model_3_seed_000
> 2.json"
> color #1/A:620-640 lime
> color #1/B:27-356 magenta
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__RN216_HUMAN__1506aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb"
Chain information for
MYB_HUMAN__RN216_HUMAN__1506aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb
#2
---
Chain | Description
A | No description available
B | No description available
> hide #1 models
> color #2 bypolymer
> ui tool show "AlphaFold Error Plot"
> alphafold pae #1 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__RN216_HUMAN__1506aa_scores_rank_001_alphafold2_multimer_v3_model_5_seed_000.json"
Number of residues in structure
"MYB_HUMAN__UBP41_HUMAN__998aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb
#1" is 998 which does not match PAE matrix size 1506.
This can happen if chains were deleted from the AlphaFold model or if the PAE
data was applied to a structure that was not the one predicted by AlphaFold.
Use the full-length AlphaFold model to show predicted aligned error.
> ui tool show "AlphaFold Error Plot"
> alphafold pae #2 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__RN216_HUMAN__1506aa_scores_rank_001_alphafold2_multimer_v3_model_5_seed_000.json"
> color #2/A:20-287 lime
> color #2/B:306-848 magenta
> alphafold pae #2 colorDomains true
> color bfactor #2 palette alphafold
12068 atoms, 1506 residues, atom bfactor range 13.1 to 97.1
> color #2 bychain
> alphafold contacts #2/A toResidues #2/B
> color bfactor #2 palette alphafold
12068 atoms, 1506 residues, atom bfactor range 13.1 to 97.1
> color #!2 bypolymer
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__FBX7_HUMAN__1162aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb"
Chain information for
MYB_HUMAN__FBX7_HUMAN__1162aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb
#3
---
Chain | Description
A | No description available
B | No description available
> close #2
> color #3 bychain
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> ui tool show "AlphaFold Error Plot"
> alphafold pae #3 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__FBX7_HUMAN__1162aa_scores_rank_001_alphafold2_multimer_v3_model_2_seed_000.json"
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> color #3/A:159-159 lime
> color #3/A:325-325 magenta
> color #3/A:621-640/B:1-113 magenta
> alphafold pae #3 colorDomains true
> color bfactor #3 palette alphafold
9209 atoms, 1162 residues, atom bfactor range 12.5 to 97.9
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> color bfactor #3 palette alphafold
9209 atoms, 1162 residues, atom bfactor range 12.5 to 97.9
> color #3/A:23-215 lime
> color #3/B:17-76 magenta
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> alphafold contacts #2/A toResidues #2/B
No residues specified for alphafold contacts
> contacts#2/A to #2/B
Unknown command: alphafold contacts#2/A to #2/B
> alphafold contacts #2/A toResidues #2/B distance 4
No residues specified for alphafold contacts
> select add #3
9209 atoms, 9443 bonds, 1162 residues, 1 model selected
> alphafold contacts #2/A toResidues #2/B distance 4
No residues specified for alphafold contacts
> color bfactor #3 palette alphafold
9209 atoms, 1162 residues, atom bfactor range 12.5 to 97.9
> alphafold contacts #2/A toResidues #2/B distance 4
No residues specified for alphafold contacts
> undo
Undo failed, probably because structures have been modified.
> undo
Undo failed, probably because structures have been modified.
> undo
Undo failed, probably because structures have been modified.
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__NOSIP_HUMAN__941aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb"
Chain information for
MYB_HUMAN__NOSIP_HUMAN__941aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb
#2
---
Chain | Description
A | No description available
B | No description available
> close #3
> color #2 bypolymer
> color #2 bychain
> ui tool show "AlphaFold Error Plot"
Must choose structure to associate with predicted aligned error
> ui tool show "AlphaFold Error Plot"
> alphafold pae #2 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__NOSIP_HUMAN__941aa_scores_rank_001_alphafold2_multimer_v3_model_1_seed_000.json"
> color #2/A:192-192 lime
> color #2/A:65-65 magenta
> alphafold pae #2 colorDomains true
> color #2 bypolymer
> color #2 bychain
> color #2 bypolymer
> show #2 surfaces
> alphafold contacts #2/A toResidues #2/B distance 4
> select coil
10503 atoms, 10711 bonds, 4 pseudobonds, 1357 residues, 3 models selected
> hide sel & #!2 surfaces
> select all
15398 atoms, 15761 bonds, 66 pseudobonds, 1939 residues, 3 models selected
> transparency (#!2 & sel) 60
> hide #2.3 models
> ui windowfill toggle
> show sel & #!2 atoms
> mlp sel & #!2
Map values for surface
"MYB_HUMAN__NOSIP_HUMAN__941aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb_A
SES surface": minimum -30.39, mean -5.152, maximum 25.31
Map values for surface
"MYB_HUMAN__NOSIP_HUMAN__941aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb_B
SES surface": minimum -26.91, mean -4.538, maximum 22.45
To also show corresponding color key, enter the above mlp command and add key
true
> select coil
10503 atoms, 10711 bonds, 4 pseudobonds, 1357 residues, 3 models selected
> hide sel & #!2 atoms
> hide sel & #!2 surfaces
> ui windowfill toggle
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__NUSAP_HUMAN__1081aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb"
Chain information for
MYB_HUMAN__NUSAP_HUMAN__1081aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb
#3
---
Chain | Description
A | No description available
B | No description available
> select add #2
12789 atoms, 13059 bonds, 66 pseudobonds, 1630 residues, 5 models selected
> hide #!2 models
> select subtract #2
5378 atoms, 5478 bonds, 689 residues, 3 models selected
> hide #2.1 models
> hide #2.2 models
> color #3 bychain
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__KLH41_HUMAN__1246aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb"
Chain information for
MYB_HUMAN__KLH41_HUMAN__1246aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb
#4
---
Chain | Description
A | No description available
B | No description available
> hide #3 models
> color #4 bychain
> color #4 bypolymer
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__FBXL8_HUMAN__1014aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb"
Chain information for
MYB_HUMAN__FBXL8_HUMAN__1014aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb
#5
---
Chain | Description
A | No description available
B | No description available
> hide #4 models
> color #5 bypolymer
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__UBE3A_HUMAN__1515aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb"
Chain information for
MYB_HUMAN__UBE3A_HUMAN__1515aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb
#6
---
Chain | Description
A | No description available
B | No description available
> hide #6 models
> show #6 models
> hide #5 models
> color #6 bypolymer
> color #6 bychain
> close #6
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__UBE3C_HUMAN__1723aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb"
Chain information for
MYB_HUMAN__UBE3C_HUMAN__1723aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_2_seed_000.pdb
#6
---
Chain | Description
A | No description available
B | No description available
> color #6 bychain
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__RFPLB_HUMAN__903aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb"
Chain information for
MYB_HUMAN__RFPLB_HUMAN__903aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_5_seed_000.pdb
#7
---
Chain | Description
A | No description available
B | No description available
> hide #6 models
> color #7 bypolymer
> color #7 bychain
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__KLH41_HUMAN__1246aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb"
Chain information for
MYB_HUMAN__KLH41_HUMAN__1246aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_3_seed_000.pdb
#8
---
Chain | Description
A | No description available
B | No description available
> hide #7 models
> color #8 bypolymer
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__MEX3C_HUMAN__1299aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb"
Chain information for
MYB_HUMAN__MEX3C_HUMAN__1299aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb
#9
---
Chain | Description
A | No description available
B | No description available
> hide #8 models
> color #9 bychain
> color #9 bypolymer
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__EP300_HUMAN__3054aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb"
Chain information for
MYB_HUMAN__EP300_HUMAN__3054aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000.pdb
#10
---
Chain | Description
A | No description available
B | No description available
> hide #9 models
> color #10 bypolymer
> color #10 bychain
> view sel
> hide #10 models
> open "/Users/jrutter/Dropbox (MIT)/MYB_KIFC1_cleanup.cxs"
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.5 (2022-11-24)
© 2016-2022 Regents of the University of California. All rights reserved.
> open "/Users/jrutter/Dropbox (MIT)/MYB_KIFC1_cleanup.cxs"
Log from Sat Jul 22 22:07:52 2023UCSF ChimeraX version: 1.5 (2022-11-24)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> ui tool show AlphaFold
Populating font family aliases took 137 ms. Replace uses of missing font
family "Lato" with one that exists to avoid this cost.
> alphafold predict
> MEDEEGPEYGKPDFVLLDQVTMEDFMRNLQLRFEKGRIYTYIGEVLVSVNPYQELPLYGPEAIARYQGRELYERPPHLYAVANAAYKAMKHRSRDTCIVISGESGAGKTEASKHIMQYIAAVTNPSQRAEVERVKDVLLKSTCVLEAFGNARTNRNHNSSRFGKYMDINFDFKGDPIGGHIHSYLLEKSRVLKQHVGERNFHAFYQLLRGSEDKQLHELHLERNPAVYNFTHQGAGLNMTVHSALDSDEQSHQAVTEAMRVIGFSPEEVESVHRILAAILHLGNIEFVETEEGGLQKEGLAVAEEALVDHVAELTATPRDLVLRSLLARTVASGGRELIEKGHTAAEASYARDACAKAVYQRLFEWVVNRINSVMEPRGRDPRRDGKDTVIGVLDIYGFEVFPVNSFEQFCINYCNEKLQQLFIQLILKQEQEEYEREGITWQSVEYFNNATIVDLVERPHRGILAVLDEACSSAGTITDRIFLQTLDMHHRHHLHYTSRQLCPTDKTMEFGRDFRIKHYAGDVTYSVEGFIDKNRDFLFQDFKRLLYNSTDPTLRAMWPDGQQDITEVTKRPLTAGTLFKNSMVALVENLASKEPFYVRCIKPNEDKVAGKLDENHCRHQVAYLGLLENVRVRRAGFASRQPYSRFLLRYKMTCEYTWPNHLLGSDKAAVSALLEQHGLQGDVAFGHSKLFIRSPRTLVTLEQSRARLIPIIVLLLQKAWRGTLARWRCRRLRAIYTIMRWFRRHKVRAHLAELQRRFQAARQPPLYGRDLVWPLPPAVLQPFQDTCHALFCRWRARQLVKNIPPSDMPQIKAKVAAMGALQGLRQDWGCRRAWARDYLSSATDNPTASSLFAQRLKTLQDKDGFGAVLFSSHVRKVNRFHKIRNRALLLTDQHLYKLDPDRQYRVMRAVPLEAVTGLSVTSGGDQLVVLHARGQDDLVVCLHRSRPPLDNRVGELVGVLAAHCQGEGRTLEVRVSDCIPLSHRGVRRLISVEPRPEQPEPDFRCARGSFTLLWPSR,PAAAAIQRHYNDEDPEKEKRIKELELLLMSTENELKGQQVLPTQNHTCSYPGW
Please cite ColabFold: Making protein folding accessible to all. Nature
Methods (2022) if you use these predictions.
Running AlphaFold prediction
> open "/Users/jrutter/Dropbox (MIT)/Ebert Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb"
Chain information for
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb
#1
---
Chain | Description
A | No description available
B | No description available
Drag select of 184 residues
> delete atoms sel
> delete bonds sel
Drag select of 86 residues
> delete atoms sel
> delete bonds sel
Drag select of 60 residues
> delete atoms sel
> delete bonds sel
Drag select of 2 residues
> delete atoms sel
> delete bonds sel
> select clear
> ui tool show "Side View"
Drag select of 58 residues
> delete atoms sel
> delete bonds sel
Drag select of 82 residues, 2 pseudobonds
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
Drag select of 18 residues, 1 pseudobonds
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
Drag select of 10 residues, 1 pseudobonds
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
Drag select of 7 residues
> delete atoms sel
> delete bonds sel
> color bypolymer
> set bgColor white
> lighting flat
> view
Drag select of 1 pseudobonds
No visible atoms or bonds selected
> hide cartoons
> show cartoons
> ui tool show "AlphaFold Error Plot"
> alphafold pae #1 file "/Users/jrutter/Dropbox (MIT)/Ebert
> Lab/Ebert_computational/Alphafold
> screen/remote_job_0000742_longley/MYB_HUMAN__KIFC1_HUMAN__1313aa_scores_rank_001_alphafold2_multimer_v3_model_4_seed_000.json"
> alphafold pae #1 colorDomains true
> color bfactor #1 palette alphafold
6401 atoms, 806 residues, atom bfactor range 14.9 to 97.4
Drag select of 6 residues, 1 pseudobonds
Drag select of 37 residues
> delete atoms sel
> delete bonds sel
Drag select of 10 residues, 1 pseudobonds
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
Drag select of 7 residues
> delete atoms sel
> delete bonds sel
> select clear
Drag select of 12 residues, 1 pseudobonds
> delete atoms (#!1 & sel)
> delete bonds (#!1 & sel)
Drag select of 2 residues
> delete atoms sel
> delete bonds sel
> hide cartoons
> show cartoons
> save "/Users/jrutter/Dropbox (MIT)/MYB_KIFC1_cleanup.cxs"
> show surfaces
> rainbow
> color bypolymer
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_A
SES surface, 2942 of 235002 triangles
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_A
SES surface, 2958 of 235002 triangles
[Repeated 1 time(s)]
> select clear
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_A
SES surface, 2958 of 235002 triangles
> hide surfaces
> show surfaces
> transparency #1.2 70
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_B
SES surface, 57189 of 580510 triangles, 67 residues
> transparency (#!1 & sel) 70
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_A
SES surface,
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_B
SES surface, 735 residues
> transparency (#!1 & sel) 70
> ui tool show "AlphaFold Error Plot"
> color bfactor #1 palette alphafold
5865 atoms, 738 residues, 2 surfaces, atom bfactor range 14.9 to 97.4
> transparency (#!1 & sel) 60
Drag select of
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_A
SES surface, 6498 of 235002 triangles,
MYB_HUMAN__KIFC1_HUMAN__1313aa_unrelaxed_rank_001_alphafold2_multimer_v3_model_4_seed_000.pdb_B
SES surface, 9033 of 580510 triangles, 17 residues
> color #1/B:163-198 lime
> color #1/B:240-673 magenta
> color #1/A:56-86 lime
> color #1/B:290-673 magenta
> color bfactor #1 palette alphafold
5865 atoms, 738 residues, 2 surfaces, atom bfactor range 14.9 to 97.4
> color #1/A:54-78 lime
> color #1/B:306-673 magenta
> alphafold contacts #1/A toResidues #1/B
> transparency (#!1 & sel) 60
> color bfactor #1 palette alphafold
5865 atoms, 738 residues, 2 surfaces, atom bfactor range 14.9 to 97.4
> select all
5865 atoms, 5959 bonds, 28 pseudobonds, 738 residues, 3 models selected
> color bfactor #1 palette alphafold
5865 atoms, 738 residues, 2 surfaces, atom bfactor range 14.9 to 97.4
> transparency (#!1 & sel) 60
> alphafold contacts #1/A toResidues #1/B distance 4
> alphafold contacts #1/A toResidues #1/B distance 4 color pLDDT
Expected a keyword
> color bfactor #1 palette alphafold
5865 atoms, 738 residues, 2 surfaces, atom bfactor range 14.9 to 97.4
> transparency (#!1 & sel) 60
> save "/Users/jrutter/Dropbox (MIT)/MYB_KIFC1_cleanup.cxs"
——— End of log from Sat Jul 22 22:07:52 2023 ———
opened ChimeraX session
OpenGL version: 4.1 Metal - 83
OpenGL renderer: Apple M2 Max
OpenGL vendor: Apple
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: Mac14,5
Model Number: MPHK3LL/A
Chip: Apple M2 Max
Total Number of Cores: 12 (8 performance and 4 efficiency)
Memory: 32 GB
System Firmware Version: 8419.41.10
OS Loader Version: 8419.41.10
Software:
System Software Overview:
System Version: macOS 13.0 (22A8380)
Kernel Version: Darwin 22.1.0
Time since boot: 13 days, 6 hours, 46 minutes
Graphics/Displays:
Apple M2 Max:
Chipset Model: Apple M2 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 30
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
DELL U3415W:
Resolution: 3440 x 1440 (UWQHD - Ultra-Wide Quad HD)
UI Looks like: 3440 x 1440 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
appnope: 0.1.3
asttokens: 2.1.0
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: 1.4
ChimeraX-AddH: 2.2.1
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2.1
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.6
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.3
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.41.5
ChimeraX-AtomicLibrary: 8.0.3
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: 1.2.4
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.5
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
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
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 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: 2.8
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.6
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: 1.9.1
ChimeraX-PDB: 2.6.8
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-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
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.7.2
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
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-Tug: 1.0.1
ChimeraX-UI: 1.24.3
ChimeraX-uniprot: 2.2.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.1.4
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
Change History (2)
comment:1 by , 2 years ago
| Component: | Unassigned → UI |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Crash deleting tool |
comment:2 by , 2 years ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | accepted → closed |
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