Opened 2 years ago
Closed 2 years ago
#9655 closed defect (duplicate)
Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Window Toolkit | Version: | |
| Keywords: | Cc: | Tom Goddard | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-13.5-arm64-arm-64bit
ChimeraX Version: 1.6 (2023-03-23 07:59:11 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 0x0000000204392080 (most recent call first):
File "/Applications/ChimeraX-1.6.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 284 in event_loop
File "/Applications/ChimeraX-1.6.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.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.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code
File "/Applications/ChimeraX-1.6.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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{
"uptime" : 430000,
"procRole" : "Background",
"version" : 2,
"userID" : 1195785599,
"deployVersion" : 210,
"modelCode" : "Mac14,5",
"coalitionID" : 19447,
"osVersion" : {
"train" : "macOS 13.5",
"build" : "22G74",
"releaseType" : "User"
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"captureTime" : "2023-08-28 20:14:56.2343 -0400",
"incident" : "F2A8E741-DD3E-49F4-A6BA-4037B62BDD41",
"pid" : 80347,
"translated" : false,
"cpuType" : "ARM-64",
"roots_installed" : 0,
"bug_type" : "309",
"procLaunch" : "2023-08-17 10:47:57.1630 -0400",
"procStartAbsTime" : 2412236487466,
"procExitAbsTime" : 10432316187361,
"procName" : "ChimeraX",
"procPath" : "\/Applications\/ChimeraX-1.6.app\/Contents\/MacOS\/ChimeraX",
"bundleInfo" : {"CFBundleShortVersionString":"1.6.0","CFBundleVersion":"1.6.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
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"parentProc" : "launchd",
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"coalitionName" : "edu.ucsf.cgl.ChimeraX",
"crashReporterKey" : "AAE09EAA-E991-08DE-E25C-56BCD904E286",
"codeSigningID" : "edu.ucsf.cgl.ChimeraX",
"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
"codeSigningValidationCategory" : 6,
"codeSigningTrustLevel" : 0,
"wakeTime" : 5,
"sleepWakeUUID" : "7722D4FF-282D-40FF-ABD1-7266A09A3A27",
"sip" : "enabled",
"vmRegionInfo" : "0x18 is not in any region. Bytes before following region: 105554055790568\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n MALLOC_NANO (reserved) 600038000000-600040000000 [128.0M] rw-\/rwx SM=NUL ...(unallocated)",
"exception" : {"codes":"0x0000000000000001, 0x0000000000000018","rawCodes":[1,24],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000018"},
"termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":80347},
"vmregioninfo" : "0x18 is not in any region. Bytes before following region: 105554055790568\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n MALLOC_NANO (reserved) 600038000000-600040000000 [128.0M] rw-\/rwx SM=NUL ...(unallocated)",
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===== Log before crash start =====
UCSF ChimeraX version: 1.6 (2023-03-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> /Users/dout2/Downloads/InitialModels/h2B1-Apo_200_083_Protein_Mask_10x10.mrc
Opened h2B1-Apo_200_083_Protein_Mask_10x10.mrc as #1, grid size 200,200,200,
pixel 0.83, shown at level 1, step 1, values float32
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_200_083_Mask_10x10.mrc
Opened h2B1-Apo_200_083_Mask_10x10.mrc as #2, grid size 200,200,200, pixel
0.83, shown at level 1, step 1, values float32
> set bgColor white
> volume #1 level 0.9857
> volume #2 level 0.9695
> view
> close #1-2
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc
Failed opening file
/Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc:
File size 1736704 too small for grid size (200,200,200)
> open /Users/dout2/Downloads/InitialModels/h2B1-GDN_200_083.mrc
Opened h2B1-GDN_200_083.mrc as #1, grid size 200,200,200, pixel 0.83, shown at
level 0.0113, step 1, values float32
> open /Users/dout2/Downloads/InitialModels/h2B1-GDN_All_mask_200_083.mrc
Opened h2B1-GDN_All_mask_200_083.mrc as #2, grid size 200,200,200, pixel 0.83,
shown at level 1, step 1, values float32
> volume #1 level 0.0169
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc
Failed opening file
/Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc:
File size 1736704 too small for grid size (200,200,200)
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc
Failed opening file
/Users/dout2/Downloads/InitialModels/h2B1-Apo_region_536_200_083.mrc:
File size 1736704 too small for grid size (200,200,200)
> open
> /Users/dout2/Downloads/InitialModels/h2B1-LMNG_region_536_lp15_0.00112.mrc
Opened h2B1-LMNG_region_536_lp15_0.00112.mrc as #3, grid size 200,200,200,
pixel 0.83, shown at level 0.00462, step 1, values float32
> volume #2 level 1
> volume #1 level 0.008052
> hide #!3 models
> show #!3 models
> volume #1 level 0.01195
> select add #3
2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.58085,-0.80991,-0.081622,201.7,-0.17874,0.22472,-0.95789,157.43,0.79414,-0.5418,-0.27529,85.476
> view matrix models
> #3,-0.65613,-0.60705,-0.4483,221.86,-0.11831,0.66946,-0.73336,97.611,0.74531,-0.42814,-0.51108,99.839
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.65613,-0.60705,-0.4483,213.76,-0.11831,0.66946,-0.73336,103.14,0.74531,-0.42814,-0.51108,108.38
> view matrix models
> #3,-0.65613,-0.60705,-0.4483,218.12,-0.11831,0.66946,-0.73336,103.5,0.74531,-0.42814,-0.51108,109.76
> view matrix models
> #3,-0.65613,-0.60705,-0.4483,219.54,-0.11831,0.66946,-0.73336,102.46,0.74531,-0.42814,-0.51108,111.12
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.5289,-0.57414,-0.62501,221.19,0.060212,0.7092,-0.70243,82.086,0.84655,-0.40915,-0.34052,87.114
> view matrix models
> #3,-0.63255,-0.59214,-0.49925,220.64,-0.076238,0.68906,-0.72068,96.378,0.77076,-0.4178,-0.48101,105.7
> view matrix models
> #3,-0.47597,-0.54409,-0.69095,219.92,0.10382,0.7454,-0.65848,71.923,0.87331,-0.38515,-0.2983,79.462
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.47597,-0.54409,-0.69095,222.95,0.10382,0.7454,-0.65848,73.191,0.87331,-0.38515,-0.2983,79.842
> view matrix models
> #3,-0.47597,-0.54409,-0.69095,222.66,0.10382,0.7454,-0.65848,75.09,0.87331,-0.38515,-0.2983,79.639
> view matrix models
> #3,-0.47597,-0.54409,-0.69095,223.27,0.10382,0.7454,-0.65848,74.722,0.87331,-0.38515,-0.2983,79.835
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.43094,-0.53747,-0.72486,221.88,-0.083361,0.82355,-0.56108,75.525,0.89852,-0.18137,-0.3997,69.633
> view matrix models
> #3,-0.55558,-0.59752,-0.57818,224.73,-0.26734,0.78683,-0.55626,93.124,0.78731,-0.15448,-0.59689,92.935
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.55558,-0.59752,-0.57818,222.44,-0.26734,0.78683,-0.55626,90.268,0.78731,-0.15448,-0.59689,93.174
> vop resample #3 onGrid #1
Opened h2B1-LMNG_region_536_lp15_0.00112.mrc resampled as #4, grid size
200,200,200, pixel 0.83, shown at step 1, values float32
> close #3
> volume #4 level 0.003042
> volume #4 level 0.00112
> volume #1 level 0.008186
> show #!2 models
> hide #!2 models
> select add #4
2 models selected
> view matrix models #4,1,0,0,2.3279,0,1,0,-0.39672,0,0,1,-5.7749
> view matrix models #4,1,0,0,1.4657,0,1,0,-4.2368,0,0,1,-4.4723
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.99915,0.039781,0.011152,-3.0524,-0.041017,0.98748,0.15234,-13.707,-0.0049521,-0.15267,0.98826,10.696
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.99915,0.039781,0.011152,-2.5242,-0.041017,0.98748,0.15234,-14.706,-0.0049521,-0.15267,0.98826,7.7615
> vop resample #4 onGrid #1
Opened h2B1-LMNG_region_536_lp15_0.00112.mrc resampled resampled as #3, grid
size 200,200,200, pixel 0.83, shown at step 1, values float32
> close #4
> show #!2 models
> hide #!2 models
> select add #3
2 models selected
> view matrix models #3,1,0,0,0.73077,0,1,0,-0.95869,0,0,1,-5.9547
> show #!2 models
> hide #!2 models
> view matrix models #3,1,0,0,0.58643,0,1,0,-0.65131,0,0,1,-5.3452
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.51097,0.74697,-0.42537,14.387,-0.85036,0.51161,-0.12308,123.53,0.12568,0.42461,0.89661,-43.454
> ui tool show "Fit in Map"
> fitmap #3 inMap #1
Fit map h2B1-LMNG_region_536_lp15_0.00112.mrc resampled resampled in map
h2B1-GDN_200_083.mrc using 180382 points
correlation = 0.6646, correlation about mean = 0.1066, overlap = 5.459
steps = 200, shift = 12.4, angle = 31 degrees
Position of h2B1-LMNG_region_536_lp15_0.00112.mrc resampled resampled (#3)
relative to h2B1-GDN_200_083.mrc (#1) coordinates:
Matrix rotation and translation
0.62938933 0.50771743 -0.58829591 40.10468692
-0.77328723 0.33439890 -0.53870608 154.15519843
-0.07678496 0.79397757 0.60307851 -35.59247163
Axis 0.69483569 -0.26669200 -0.66789126
Axis point 0.00000000 112.28073278 152.64028403
Rotation angle (degrees) 73.53477388
Shift along axis 10.52611098
> undo
> view matrix models
> #3,0.99591,0.027233,0.086137,-8.7461,-0.030519,0.99885,0.037072,-1.1347,-0.085028,-0.039549,0.99559,5.6039
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.99591,0.027233,0.086137,-9.2248,-0.030519,0.99885,0.037072,-0.7938,-0.085028,-0.039549,0.99559,9.59
> show #!2 models
> hide #!2 models
> vop resample #5 onGrid #1
> vop resample #3 onGrid #1
Opened h2B1-LMNG_region_536_lp15_0.00112.mrc resampled resampled resampled as
#4, grid size 200,200,200, pixel 0.83, shown at step 1, values float32
> close #3
> save /Users/dout2/Downloads/InitialModels/h2B1-GDN_Protein_200_083.mrc
> models #4
> show #!1 models
> volume #1 level 0.003793
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_200_083.mrc
Opened h2B1-Apo_200_083.mrc as #3, grid size 200,200,200, pixel 0.83, shown at
level 0.00411, step 1, values float32
> hide #!4 models
> volume #3 level 0.005579
> volume #3 level 0.006088
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_200_083_Mask.mrc
Opened h2B1-Apo_200_083_Mask.mrc as #5, grid size 200,200,200, pixel 0.83,
shown at level 1, step 1, values float32
> open /Users/dout2/Downloads/InitialModels/h2B1-Apo_200_083_Protein_Mask.mrc
Opened h2B1-Apo_200_083_Protein_Mask.mrc as #6, grid size 200,200,200, pixel
0.83, shown at level 1, step 1, values float32
> volume #5 level 0.9847
> volume #6 level 0.9762
> volume #3 level 0.003031
> show #!4 models
> hide #!4 models
> hide #!3 models
> show #!3 models
> hide #!3 models
> show #!1 models
> hide #!1 models
> hide #!6 models
> show #!4 models
> show #!1 models
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> show #!1 models
> hide #!4 models
> show #!4 models
> hide #!1 models
> open /Users/dout2/Downloads/InitialModels/h2B1-GDN_Protein_mask_200_083.mrc
Opened h2B1-GDN_Protein_mask_200_083.mrc as #7, grid size 200,200,200, pixel
0.83, shown at level 1, step 1, values float32
> volume #7 level 1
> show #!1 models
> view
> ui tool show "Side View"
> hide #!4 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> view
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!7 models
> volume #1 level 0.01603
> show #!7 models
> hide #!7 models
> show #!7 models
> hide #!7 models
> show #!7 models
> volume #1 level 0.004316
> hide #!1 models
> show #!5 models
> hide #!5 models
> show #!5 models
> hide #!5 models
> close #6
> close #5
> close #3
> show #!1 models
> volume #1 level 0.01212
> hide #!7 models
> show #!7 models
> hide #!7 models
> open /Users/dout2/Downloads/20230711Krios_mOCT1-HEPES-
> LMNG/job160/run_class001.mrc
Opened run_class001.mrc as #3, grid size 160,160,160, pixel 0.83, shown at
level 0.00436, step 1, values float32
> open /Users/dout2/Downloads/20230711Krios_mOCT1-HEPES-
> LMNG/job160/run_class001_angdist.bild
Opened BILD data containing 3063 objects
> hide #!1 models
> close #1-2
> close #4
> close #7
> view
> hide #5 models
> lighting soft
> lighting simple
> open "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs"
Opened cryosparc_P4_J16__localfilter_240.mrc as #2, grid size 240,240,240,
pixel 0.553, shown at level 0.238, step 1, values float32
Opened cryosparc_P4_J89__localfilter_160.mrc as #3, grid size 160,160,160,
pixel 0.83, shown at level 0.134, step 1, values float32
Opened cryosparc_P4_J55__localfilter_160.mrc as #5, grid size 160,160,160,
pixel 0.83, shown at level 0.136, step 1, values float32
Opened rOAT1-AKG_8bw7_emd_16280.map as #7, grid size 288,288,288, pixel 0.832,
shown at level 0.514, step 1, values float32
Opened rOAT1-AKG_8omu_emd_16977.map as #9, grid size 288,288,288, pixel 0.832,
shown at level 0.397, step 1, values float32
Opened rOAT1-apo_8bvr_emd_16269.map as #11, grid size 288,288,288, pixel
0.832, shown at level 0.628, step 1, values float32
Opened rOAT1-PBD_8bvt_emd_16271.map as #13, grid size 288,288,288, pixel
0.832, shown at level 0.182, step 2, values float32
Opened rOAT1-TFV_8bvs_emd_16270.map as #15, grid size 288,288,288, pixel
0.832, shown at level 0.191, step 2, values float32
opened ChimeraX session
> show #!2 models
> hide #!2 models
> show #1 models
> view
> hide #1 models
> show #!4 models
> hide #!4 models
> show #6 models
> select clear
> select #6/B:601@O10
1 atom, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> show #!14 models
> view
> ui tool show Matchmaker
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> view matrix models #6,1,0,0,-1.377,0,1,0,0.17197,0,0,1,-0.2168
> select clear
> select #6/B:601@C17
1 atom, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> show #!16 models
> hide #!16 models
> show #!16 models
> hide #!16 models
> show #!12 models
> hide #!12 models
> show #!12 models
> hide #!12 models
> show #!16 models
> select
> #6/A:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
232 atoms, 216 bonds, 29 residues, 1 model selected
> show sel atoms
> save "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs" includeMaps true
> color #16 #8b7338ff
> color #16 #897338ff
> color #16 #897354ff
> color #16 #89735fff
> color #16 #89805fff
> color #16 #896e5fff
> color #16 #926e5fff
> color #16 #9b6e5fff
> select add #6
3905 atoms, 3985 bonds, 515 residues, 1 model selected
> select subtract #6
Nothing selected
> select add #16
4799 atoms, 4916 bonds, 2 pseudobonds, 619 residues, 2 models selected
> color (#!16 & sel) byhetero
> select
> #/A:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
Expected an objects specifier or a keyword
> select
> :28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
1966 atoms, 1824 bonds, 250 residues, 8 models selected
> show sel & #6#!14,16 atoms
> hide #!16 models
> hide #!14 models
> show #!14 models
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> hide #!14 models
> show #!16 models
> hide #6 models
> show #!14 models
> hide #!14 models
> hide #!16 models
> show #6 models
> select clear
> show #!14 models
> lighting soft
> show #!10 models
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> view sel
> show #6#!10,14 atoms
> undo
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> show #6#!10,14 atoms
> undo
> view
> hide #!14 models
> hide #6 models
> show #!8 models
> hide #!10 models
> show #!14 models
> show #6 models
> hide #!8 models
> select add #8
4748 atoms, 4863 bonds, 2 pseudobonds, 614 residues, 2 models selected
> select subtract #8
Nothing selected
> hide #!14 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> show #!8 models
> hide #!8 models
> show #!8 models
> show #!14 models
> show #!16 models
> show #!12 models
> hide #!12 models
> show #!12 models
> hide #!8 models
> show #!8 models
> hide #!12 models
> select ::name="CL"
2 atoms, 2 residues, 2 models selected
> show sel atoms
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select add #14
4518 atoms, 4615 bonds, 2 pseudobonds, 625 residues, 3 models selected
> select subtract #14
1 atom, 1 residue, 1 model selected
> select add #16
4799 atoms, 4916 bonds, 2 pseudobonds, 619 residues, 2 models selected
> select add #14
9316 atoms, 9531 bonds, 4 pseudobonds, 1243 residues, 4 models selected
> select add #12
14110 atoms, 14439 bonds, 6 pseudobonds, 1863 residues, 6 models selected
> select add #8
18858 atoms, 19302 bonds, 8 pseudobonds, 2477 residues, 8 models selected
> select add #6
22763 atoms, 23287 bonds, 8 pseudobonds, 2992 residues, 9 models selected
> select subtract #12
17969 atoms, 18379 bonds, 6 pseudobonds, 2372 residues, 7 models selected
> hide sel atoms
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> show sel atoms
> select ::name="CL"
2 atoms, 2 residues, 2 models selected
> show sel atoms
> select add #16
4800 atoms, 4916 bonds, 2 pseudobonds, 620 residues, 3 models selected
> select subtract #16
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select ::name="LIG"
42 atoms, 42 bonds, 2 residues, 2 models selected
> show sel & #6 atoms
> select ::name="RTO"
19 atoms, 19 bonds, 1 residue, 1 model selected
> show sel atoms
> select ::name="TFO"
19 atoms, 20 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> hide #!16 models
> show #!16 models
> hide #!16 models
> hide #!14 models
> show #!14 models
> show #!16 models
> hide #6 models
> show #6 models
> show #!4 models
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
11 atoms, 10 bonds, 1 residue, 1 model selected
> hide sel atoms
> show sel atoms
> hide sel atoms
> movie record
> turn y 2 180
> wait 180
> movie encode /Users/dout2/Desktop/movie1.mp4
Movie saved to /Users/dout2/Desktop/movie1.mp4
> hide #!16 models
> hide #!14 models
> hide #!8 models
> hide #6 models
> show #6 models
> select
> :28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
1966 atoms, 1824 bonds, 250 residues, 8 models selected
> show sel & #6#!4 atoms
> hide sel & #6#!4 atoms
> show #!16 models
> show #!14 models
> show #!10 models
> hide #!10 models
> show #!8 models
> show #1 models
> view
> select clear
Drag select of 23 residues
> select clear
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #!4 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PAH-coot-7_real_space_refined_007.pdb, chain A (#4), sequence alignment
score = 2547.2
RMSD between 494 pruned atom pairs is 0.541 angstroms; (across all 494 pairs:
0.541)
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> save "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs" includeMaps true
> select clear
> select
> :28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
1966 atoms, 1824 bonds, 250 residues, 8 models selected
> show sel & #1,6#!4,8,14,16 atoms
> select clear
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> hide #!16 models
> hide #!14 models
> hide #6 models
> hide #!4 models
> hide #1 models
> view sel
> select #8/A:227
4 atoms, 3 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> hide #!8 models
> show #!4 models
> hide #!4 models
> show #6 models
> hide #6 models
> show #!8 models
> show #!7 models
> view
> select add #7
2 models selected
> view matrix models #7,1,0,0,-36.048,0,1,0,-57.002,0,0,1,-43.227
> ui mousemode right "rotate selected models"
> view matrix models
> #7,-0.66795,0.62893,-0.39786,126.1,0.6813,0.73189,0.013168,-103.71,0.29947,-0.26226,-0.91735,187.58
> view matrix models
> #7,-0.4798,0.59643,0.64348,-18.089,0.82458,0.055961,0.56296,-106.32,0.29976,0.80071,-0.51866,12.357
> view matrix models
> #7,-0.52351,-0.34401,0.77948,82.349,0.27498,-0.93413,-0.22758,170.05,0.80643,0.0952,0.58362,-95.083
> view matrix models
> #7,-0.31083,-0.81764,0.48461,150.63,-0.057776,-0.49267,-0.8683,233.09,0.94871,-0.29789,0.1059,-6.178
> view matrix models
> #7,-0.23651,-0.97114,0.030936,215.74,0.28098,-0.098839,-0.95461,158.36,0.93012,-0.21708,0.29624,-36.877
> view matrix models
> #7,-0.35413,-0.91884,0.17413,205.38,0.16914,-0.24605,-0.95438,188.53,0.91977,-0.30852,0.24254,-18.275
> ui mousemode right "translate selected models"
> view matrix models
> #7,-0.35413,-0.91884,0.17413,200.43,0.16914,-0.24605,-0.95438,188.63,0.91977,-0.30852,0.24254,-40.45
> view matrix models
> #7,-0.35413,-0.91884,0.17413,196.88,0.16914,-0.24605,-0.95438,189.66,0.91977,-0.30852,0.24254,-37.373
> view matrix models
> #7,-0.35413,-0.91884,0.17413,193.59,0.16914,-0.24605,-0.95438,189.73,0.91977,-0.30852,0.24254,-33.699
> view matrix models
> #7,-0.35413,-0.91884,0.17413,196.46,0.16914,-0.24605,-0.95438,189.46,0.91977,-0.30852,0.24254,-37.728
> view matrix models
> #7,-0.35413,-0.91884,0.17413,196.58,0.16914,-0.24605,-0.95438,187.09,0.91977,-0.30852,0.24254,-40.121
> view matrix models
> #7,-0.35413,-0.91884,0.17413,198.44,0.16914,-0.24605,-0.95438,188.26,0.91977,-0.30852,0.24254,-37.343
> ui mousemode right "rotate selected models"
> view matrix models
> #7,-0.26315,-0.91847,0.29525,173.36,0.1482,-0.34089,-0.92835,198.75,0.9533,-0.20054,0.22583,-51.965
> ui tool show "Fit in Map"
> fitmap #7 inMap #5
Fit map rOAT1-AKG_8bw7_emd_16280.map in map
cryosparc_P4_J55__localfilter_160.mrc using 36334 points
correlation = 0.6898, correlation about mean = 0.4442, overlap = 6999
steps = 76, shift = 2.49, angle = 6.77 degrees
Position of rOAT1-AKG_8bw7_emd_16280.map (#7) relative to
cryosparc_P4_J55__localfilter_160.mrc (#5) coordinates:
Matrix rotation and translation
-0.18514202 -0.94582948 0.26670025 170.30685051
0.08128383 -0.28520123 -0.95501476 202.77297048
0.97934435 -0.15513494 0.12968338 -51.08266521
Axis 0.53895668 -0.48017751 0.69206594
Axis point 46.26900426 145.40872259 0.00000000
Rotation angle (degrees) 132.09253462
Shift along axis -40.93157825
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> view sel
> fitmap #8 inMap #7
Fit molecule rOAT1-AKG_8bw7.pdb (#8) to map rOAT1-AKG_8bw7_emd_16280.map (#7)
using 4748 atoms
average map value = 0.6152, steps = 52
shifted from previous position = 1.37
rotated from previous position = 0.365 degrees
atoms outside contour = 2313, contour level = 0.51433
Position of rOAT1-AKG_8bw7.pdb (#8) relative to rOAT1-AKG_8bw7_emd_16280.map
(#7) coordinates:
Matrix rotation and translation
0.99999987 -0.00029192 -0.00044187 0.10650603
0.00029139 0.99999925 -0.00119303 0.10176166
0.00044222 0.00119290 0.99999920 -0.19755122
Axis 0.91398689 -0.33867000 0.22345154
Axis point 0.00000000 169.17719005 90.50923993
Rotation angle (degrees) 0.07478432
Shift along axis 0.01873837
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> show sel atoms
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> show sel atoms
> hide sel atoms
> hide #!8 models
> hide #!7 models
> select add #8
4748 atoms, 4863 bonds, 2 pseudobonds, 614 residues, 2 models selected
> select subtract #8
Nothing selected
> show #6 models
> show #!5 models
> volume #5 level 0.1927
> fitmap #6 inMap #5
Fit molecule rOAT1-PBD-coot-4_real_space_refined_004.pdb (#6) to map
cryosparc_P4_J55__localfilter_160.mrc (#5) using 3905 atoms
average map value = 0.3521, steps = 56
shifted from previous position = 1.42
rotated from previous position = 0.0512 degrees
atoms outside contour = 1233, contour level = 0.19268
Position of rOAT1-PBD-coot-4_real_space_refined_004.pdb (#6) relative to
cryosparc_P4_J55__localfilter_160.mrc (#5) coordinates:
Matrix rotation and translation
0.99999961 0.00031734 0.00082049 -0.06413452
-0.00031721 0.99999994 -0.00015651 0.02835017
-0.00082053 0.00015625 0.99999965 0.05609006
Axis 0.17502166 0.91830279 -0.35508787
Axis point 66.11473996 0.00000000 77.10818900
Rotation angle (degrees) 0.05119419
Shift along axis -0.00510779
> color #5 #b2ffff82 models
> color #5 #b2ffff81 models
> color #5 #b2ffffce models
> color #5 #b2ffffcd models
> view
Drag select of 5 cryosparc_P4_J55__localfilter_160.mrc , 4 atoms, 3 residues,
5 bonds
> select clear
> hide #!5 models
> select #6/A:466@CD
1 atom, 1 residue, 1 model selected
> select up
11 atoms, 10 bonds, 1 residue, 1 model selected
> view sel
> show #!7 models
> hide #!7 models
> show #!5 models
> hide #6 models
> show #6 models
> hide #!5 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> show #!5 models
> volume #5 level 0.3052
> show #!8 models
> select ::name="CL"
2 atoms, 2 residues, 2 models selected
> show sel & #!8 atoms
> hide #!8 models
> select add #8
4749 atoms, 4863 bonds, 2 pseudobonds, 615 residues, 3 models selected
> hide #6 models
> hide #!5 models
> select subtract #8
1 atom, 1 residue, 1 model selected
> show #1 models
> show #!2 models
> fitmap #1 inMap #2
Fit molecule rOAT1-apo-coot-4_real_space_refined_004.pdb (#1) to map
cryosparc_P4_J16__localfilter_240.mrc (#2) using 3942 atoms
average map value = 1.007, steps = 64
shifted from previous position = 1.27
rotated from previous position = 0.342 degrees
atoms outside contour = 266, contour level = 0.23806
Position of rOAT1-apo-coot-4_real_space_refined_004.pdb (#1) relative to
cryosparc_P4_J16__localfilter_240.mrc (#2) coordinates:
Matrix rotation and translation
1.00000000 -0.00003468 -0.00003690 0.00161997
0.00003467 0.99999999 -0.00011321 0.00083435
0.00003691 0.00011321 0.99999999 -0.00970127
Axis 0.91284205 -0.29757638 0.27958485
Axis point 0.00000000 82.03089401 3.46963304
Rotation angle (degrees) 0.00710604
Shift along axis -0.00148184
> color #2 #b2b2b2cc models
> volume #2 level 0.4884
> show #!8 models
> hide #!8 models
> show #!8 models
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> hide #!8 models
> volume #2 level 0.5809
> hide #!2 models
> hide #1 models
> show #!8 models
> show #!7 models
> show #6 models
> hide #!7 models
> hide #6 models
> select #8/A:463
7 atoms, 6 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:466@NH1
1 atom, 1 residue, 1 model selected
> ui tool show Distances
No distances to delete!
Exactly two atoms must be selected!
> select clear
> select #8/A:466@NH1
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select subtract #8/A:602@CL
Nothing selected
> select add #8/A:466@NH1
1 atom, 1 residue, 1 model selected
Exactly two atoms must be selected!
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select add #8/A:466@NH1
2 atoms, 2 residues, 1 model selected
> distance #8/A:602@CL #8/A:466@NH1
Distance between rOAT1-AKG_8bw7.pdb #8/A CL 602 CL and ARG 466 NH1: 3.468Å
> select #8/A:462@OG
1 atom, 1 residue, 1 model selected
> select add #8/A:602@CL
2 atoms, 2 residues, 1 model selected
> distance #8/A:462@OG #8/A:602@CL
Distance between rOAT1-AKG_8bw7.pdb #8/A SER 462 OG and CL 602 CL: 4.399Å
> select clear
> select add #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select add #8/A:463@OG1
2 atoms, 2 residues, 1 model selected
> distance #8/A:602@CL #8/A:463@OG1
Distance between rOAT1-AKG_8bw7.pdb #8/A CL 602 CL and THR 463 OG1: 8.777Å
> select clear
Unsupported scale factor (0.000000) detected on Display0
QPainter::begin: Paint device returned engine == 0, type: 3
===== Log before crash end =====
Log:
UCSF ChimeraX version: 1.6 (2023-03-23)
© 2016-2023 Regents of the University of California. All rights reserved.
> open "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs"
Opened cryosparc_P4_J16__localfilter_240.mrc as #2, grid size 240,240,240,
pixel 0.553, shown at level 0.238, step 1, values float32
Opened cryosparc_P4_J89__localfilter_160.mrc as #3, grid size 160,160,160,
pixel 0.83, shown at level 0.134, step 1, values float32
Opened cryosparc_P4_J55__localfilter_160.mrc as #5, grid size 160,160,160,
pixel 0.83, shown at level 0.136, step 1, values float32
Opened rOAT1-AKG_8bw7_emd_16280.map as #7, grid size 288,288,288, pixel 0.832,
shown at level 0.514, step 1, values float32
Opened rOAT1-AKG_8omu_emd_16977.map as #9, grid size 288,288,288, pixel 0.832,
shown at level 0.397, step 1, values float32
Opened rOAT1-apo_8bvr_emd_16269.map as #11, grid size 288,288,288, pixel
0.832, shown at level 0.628, step 1, values float32
Opened rOAT1-PBD_8bvt_emd_16271.map as #13, grid size 288,288,288, pixel
0.832, shown at level 0.182, step 2, values float32
Opened rOAT1-TFV_8bvs_emd_16270.map as #15, grid size 288,288,288, pixel
0.832, shown at level 0.191, step 2, values float32
Log from Sun Aug 27 22:20:39 2023UCSF ChimeraX version: 1.6 (2023-03-23)
© 2016-2023 Regents of the University of California. All rights reserved.
> open "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs"
Opened cryosparc_P4_J16__localfilter_240.mrc as #2, grid size 240,240,240,
pixel 0.553, shown at level 0.238, step 1, values float32
Opened cryosparc_P4_J89__localfilter_160.mrc as #3, grid size 160,160,160,
pixel 0.83, shown at level 0.134, step 1, values float32
Opened cryosparc_P4_J55__localfilter_160.mrc as #5, grid size 160,160,160,
pixel 0.83, shown at level 0.136, step 1, values float32
Opened rOAT1-AKG_8bw7_emd_16280.map as #7, grid size 288,288,288, pixel 0.832,
shown at level 0.514, step 1, values float32
Opened rOAT1-AKG_8omu_emd_16977.map as #9, grid size 288,288,288, pixel 0.832,
shown at level 0.397, step 1, values float32
Opened rOAT1-apo_8bvr_emd_16269.map as #11, grid size 288,288,288, pixel
0.832, shown at level 0.628, step 1, values float32
Opened rOAT1-PBD_8bvt_emd_16271.map as #13, grid size 288,288,288, pixel
0.832, shown at level 0.182, step 2, values float32
Opened rOAT1-TFV_8bvs_emd_16270.map as #15, grid size 288,288,288, pixel
0.832, shown at level 0.191, step 2, values float32
Log from Fri Jul 21 12:35:41 2023UCSF ChimeraX version: 1.6 (2023-03-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/dout2/Downloads/cryosparc_P19_J22__localfilter.mrc format mrc
Opened cryosparc_P19_J22__localfilter.mrc as #1, grid size 256,256,256, pixel
0.83, shown at level 0.0383, step 1, values float32
> close session
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-apo_8bvr_emd_16269.map
Opened rOAT1-apo_8bvr_emd_16269.map as #1, grid size 288,288,288, pixel 0.832,
shown at level 0.196, step 2, values float32
> volume #1 step 1
> volume #1 level 0.5376
> close #1
> open EMD-16271
'EMD-16271' has no suffix
> open 8bvt
Summary of feedback from opening 8bvt fetched from pdb
---
notes | Fetching compressed mmCIF 8bvt from
http://files.rcsb.org/download/8bvt.cif
Fetching CCD RTO from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/O/RTO/RTO.cif
8bvt title:
Cryo-EM structure of rat SLC22A6 bound to probenecid [more info...]
Chain information for 8bvt #1
---
Chain | Description | UniProt
A | Solute carrier family 22 member 6 | S22A6_RAT 1-541
B | Synthetic nanobody (Sybody) |
Non-standard residues in 8bvt #1
---
RTO — 4-(dipropylsulfamoyl)benzoic acid
> open 16721
'16721' has no suffix
> open emdb:16721
Summary of feedback from opening 16721 fetched from emdb
---
note | Fetching compressed map 16721 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16721/map/emd_16721.map.gz
Opened emdb 16721 as #2, grid size 320,320,320, pixel 1.19, shown at level
0.00406, step 2, values float32
> volume #2 step 1
> volume #2 level 0.004057
> volume #2 level 0.006513
> volume #2 level 0.00849
> set bgColor white
> close #2
> open emd:16721
No such database 'emd'
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-PBD_8bvt_emd_16271.map
Opened rOAT1-PBD_8bvt_emd_16271.map as #2, grid size 288,288,288, pixel 0.832,
shown at level 0.182, step 2, values float32
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-PBD_8bvt.pdb
rOAT1-PBD_8bvt.pdb title:
Cryo-em structure of rat SLC22A6 bound to probenecid [more info...]
Chain information for rOAT1-PBD_8bvt.pdb #3
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-541
B | synthetic nanobody (sybody) |
Non-standard residues in rOAT1-PBD_8bvt.pdb #3
---
RTO — 4-(dipropylsulfamoyl)benzoic acid
> close #1
> volume #2 step 1
> volume #2 level 0.3522
> close #2-3
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-apo_20220519_cryoSPARC/model/rOAT1-apo-
> coot-4_real_space_refined_004.pdb
Chain information for rOAT1-apo-coot-4_real_space_refined_004.pdb #1
---
Chain | Description
A | No description available
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-apo_20220519_cryoSPARC/J12_2.05A_clip-240/cryosparc_P4_J16__localfilter_240.mrc
Opened cryosparc_P4_J16__localfilter_240.mrc as #2, grid size 240,240,240,
pixel 0.553, shown at level 0.238, step 1, values float32
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-PAH_20220730_20230218/cryosparc_P4_J89__localfilter_160.mrc
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-PAH_20220730_20230218/rOAT1-PAH-
> coot-7_real_space_refined_007.pdb
Opened cryosparc_P4_J89__localfilter_160.mrc as #3, grid size 160,160,160,
pixel 0.83, shown at level 0.134, step 1, values float32
Chain information for rOAT1-PAH-coot-7_real_space_refined_007.pdb #4
---
Chain | Description
A | No description available
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-PBD_20230217/cryosparc_P4_J55__localfilter_160.mrc
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/OAT1/cryoEM/rOAT1-PBD_20230217/rOAT1-PBD-
> coot-4_real_space_refined_004.pdb
Opened cryosparc_P4_J55__localfilter_160.mrc as #5, grid size 160,160,160,
pixel 0.83, shown at level 0.131, step 1, values float32
Chain information for rOAT1-PBD-coot-4_real_space_refined_004.pdb #6
---
Chain | Description
A | No description available
> open
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-AKG_8bw7_emd_16280.map
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-AKG_8bw7.pdb
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-AKG_8omu_emd_16977.map
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-AKG_8omu.pdb
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-apo_8bvr_emd_16269.map
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-apo_8bvr.pdb
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-PBD_8bvt_emd_16271.map
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-PBD_8bvt.pdb
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-TFV_8bvs_emd_16270.map
> /Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/rOAT1-TFV_8bvs.pdb
Opened rOAT1-AKG_8bw7_emd_16280.map as #7, grid size 288,288,288, pixel 0.832,
shown at level 0.199, step 2, values float32
rOAT1-AKG_8bw7.pdb title:
Cryo-em structure of rat SLC22A6 bound to α-ketoglutaric acid [more info...]
Chain information for rOAT1-AKG_8bw7.pdb #8
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-542
B | synthetic nanobody (sybody) |
Non-standard residues in rOAT1-AKG_8bw7.pdb #8
---
AKG — 2-oxoglutaric acid
CL — chloride ion
Opened rOAT1-AKG_8omu_emd_16977.map as #9, grid size 288,288,288, pixel 0.832,
shown at level 0.196, step 2, values float32
rOAT1-AKG_8omu.pdb title:
Cryo-em structure of rat SLC22A6 bound to α-ketoglutaric acid In A low
occupancy state [more info...]
Chain information for rOAT1-AKG_8omu.pdb #10
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-541
B | synthetic nanobody (sybody) |
Opened rOAT1-apo_8bvr_emd_16269.map as #11, grid size 288,288,288, pixel
0.832, shown at level 0.196, step 2, values float32
rOAT1-apo_8bvr.pdb title:
Cryo-em structure of rat SLC22A6 In the apo state [more info...]
Chain information for rOAT1-apo_8bvr.pdb #12
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-542
B | synthetic nanobody (sybody) |
Non-standard residues in rOAT1-apo_8bvr.pdb #12
---
PO4 — phosphate ion
Opened rOAT1-PBD_8bvt_emd_16271.map as #13, grid size 288,288,288, pixel
0.832, shown at level 0.182, step 2, values float32
rOAT1-PBD_8bvt.pdb title:
Cryo-em structure of rat SLC22A6 bound to probenecid [more info...]
Chain information for rOAT1-PBD_8bvt.pdb #14
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-541
B | synthetic nanobody (sybody) |
Non-standard residues in rOAT1-PBD_8bvt.pdb #14
---
RTO — 4-(dipropylsulfamoyl)benzoic acid
Opened rOAT1-TFV_8bvs_emd_16270.map as #15, grid size 288,288,288, pixel
0.832, shown at level 0.191, step 2, values float32
rOAT1-TFV_8bvs.pdb title:
Cryo-em structure of rat SLC22A6 bound to tenofovir [more info...]
Chain information for rOAT1-TFV_8bvs.pdb #16
---
Chain | Description | UniProt
A | solute carrier family 22 member 6 | S22A6_RAT 1-542
B | synthetic nanobody (sybody) |
Non-standard residues in rOAT1-TFV_8bvs.pdb #16
---
CL — chloride ion
TFO — [2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methylphosphonic acid
(tenofovir)
> hide #1 models
> hide #!2 models
> hide #!3 models
> hide #!4 models
> hide #!5 models
> hide #6 models
> hide #!7 models
> hide #!8 models
> hide #!9 models
> hide #!10 models
> hide #!11 models
> hide #!12 models
> hide #!13 models
> hide #!14 models
> hide #!15 models
> hide #!16 models
> show #!7 models
> show #!8 models
> volume #5 level 0.1359
> volume #7 step 1
> volume #7 level 0.3473
> volume #7 level 1.729
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
10 atoms, 9 bonds, 1 residue, 1 model selected
> volume #7 level 0.6347
> volume #7 level 0.3844
> volume #7 level 0.5698
> view sel
> volume #7 color #b2b2ffb3
> select #8:442
11 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> select #8:438
11 atoms, 11 bonds, 1 residue, 1 model selected
> show sel atoms
> select
> #8:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
255 atoms, 237 bonds, 32 residues, 1 model selected
> show sel atoms
> volume #7 level 0.5698
> select clear
> lighting soft
[Repeated 1 time(s)]
> lighting simple
> lighting soft
> lighting simple
> lighting soft
> lighting simple
> lighting soft
> lighting simple
> lighting soft
> lighting simple
> lighting soft
> lighting simple
> volume #7 style mesh
> volume #7 style surface
> volume #7 style mesh
> volume #1 style mesh level 0.8
No volumes specified
> volume #7 style mesh level 0.8
> volume #7 style mesh level 1
> volume #7 level 0.4901
> volume #7 style mesh level 1 color red level 1.2 color 0,50,80
> volume #7 level 1 level 1.2
> volume #7 level 0.9073 level 1.2
> volume #7 style mesh level
Missing "level" keyword's argument
> hide #!7 models
> show #!7 models
> hide #!7 models
> show #!7 models
> close #7.1-2
> hide #7 models
> show #7 models
> volume #7 level 0.7554
> select up
10 atoms, 9 bonds, 1 residue, 1 model selected
> view sel
> select clear
> volume #7 level 0.5143
> volume #7 color #b2b2ff85
> select
> #8:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
255 atoms, 237 bonds, 32 residues, 1 model selected
> show sel atoms
> select clear
> hide #!8 models
> hide #!7 models
> show #!10 models
> show #!9 models
> select add #10
4737 atoms, 4854 bonds, 2 pseudobonds, 612 residues, 2 models selected
> view sel
> volume #9 step 1
> volume #9 level 0.3973
> hide #!10 models
> select subtract #10
Nothing selected
> show #!10 models
> hide #!9 models
> show #!11 models
> volume #11 step 1
> volume #11 level 0.6276
> show #!8 models
> hide #!8 models
> hide #!11 models
> hide #!10 models
> save "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs" includeMaps true
——— End of log from Fri Jul 21 12:35:41 2023 ———
opened ChimeraX session
> show #!2 models
> hide #!2 models
> show #1 models
> view
> hide #1 models
> show #!4 models
> hide #!4 models
> show #6 models
> select clear
> select #6/B:601@O10
1 atom, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> show #!14 models
> view
> ui tool show Matchmaker
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> view matrix models #6,1,0,0,-1.377,0,1,0,0.17197,0,0,1,-0.2168
> select clear
[Repeated 1 time(s)]
> select #6/B:601@C17
1 atom, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> show #!16 models
> hide #!16 models
> show #!16 models
> hide #!16 models
> show #!12 models
> hide #!12 models
> show #!12 models
> hide #!12 models
> show #!16 models
> select
> #6/A:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
232 atoms, 216 bonds, 29 residues, 1 model selected
> show sel atoms
> save "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs" includeMaps true
> color #16 #8b7338ff
> color #16 #897338ff
> color #16 #897354ff
> color #16 #89735fff
> color #16 #89805fff
> color #16 #896e5fff
> color #16 #926e5fff
> color #16 #9b6e5fff
> select add #6
3905 atoms, 3985 bonds, 515 residues, 1 model selected
> select subtract #6
Nothing selected
> select add #16
4799 atoms, 4916 bonds, 2 pseudobonds, 619 residues, 2 models selected
> color (#!16 & sel) byhetero
> select
> #/A:28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
Expected an objects specifier or a keyword
> select
> :28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
1966 atoms, 1824 bonds, 250 residues, 8 models selected
> show sel & #6#!14,16 atoms
> hide #!16 models
> hide #!14 models
> show #!14 models
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> hide #!14 models
> show #!16 models
> hide #6 models
> show #!14 models
> hide #!14 models
> hide #!16 models
> show #6 models
> select clear
> show #!14 models
> lighting soft
> show #!10 models
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> view sel
> show #6#!10,14 atoms
> undo
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> show #6#!10,14 atoms
> undo
> view
> hide #!14 models
> hide #6 models
> show #!8 models
> hide #!10 models
> show #!14 models
> show #6 models
> hide #!8 models
> select add #8
4748 atoms, 4863 bonds, 2 pseudobonds, 614 residues, 2 models selected
> select subtract #8
Nothing selected
> hide #!14 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
19 atoms, 19 bonds, 1 residue, 1 model selected
> view sel
> show #!8 models
> hide #!8 models
> show #!8 models
> show #!14 models
> show #!16 models
> show #!12 models
> hide #!12 models
> show #!12 models
> hide #!8 models
> show #!8 models
> hide #!12 models
> select ::name="CL"
2 atoms, 2 residues, 2 models selected
> show sel atoms
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select #8/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select add #14
4518 atoms, 4615 bonds, 2 pseudobonds, 625 residues, 3 models selected
> select subtract #14
1 atom, 1 residue, 1 model selected
> select add #16
4799 atoms, 4916 bonds, 2 pseudobonds, 619 residues, 2 models selected
> select add #14
9316 atoms, 9531 bonds, 4 pseudobonds, 1243 residues, 4 models selected
> select add #12
14110 atoms, 14439 bonds, 6 pseudobonds, 1863 residues, 6 models selected
> select add #8
18858 atoms, 19302 bonds, 8 pseudobonds, 2477 residues, 8 models selected
> select add #6
22763 atoms, 23287 bonds, 8 pseudobonds, 2992 residues, 9 models selected
> select subtract #12
17969 atoms, 18379 bonds, 6 pseudobonds, 2372 residues, 7 models selected
> hide sel atoms
> select ::name="AKG"
10 atoms, 9 bonds, 1 residue, 1 model selected
> show sel atoms
> select ::name="CL"
2 atoms, 2 residues, 2 models selected
> show sel atoms
> select add #16
4800 atoms, 4916 bonds, 2 pseudobonds, 620 residues, 3 models selected
> select subtract #16
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> select clear
> select #16/A:602@CL
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select ::name="LIG"
42 atoms, 42 bonds, 2 residues, 2 models selected
> show sel & #6 atoms
> select ::name="RTO"
19 atoms, 19 bonds, 1 residue, 1 model selected
> show sel atoms
> select ::name="TFO"
19 atoms, 20 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> hide #!16 models
> show #!16 models
> hide #!16 models
> hide #!14 models
> show #!14 models
> show #!16 models
> hide #6 models
> show #6 models
> show #!4 models
> select clear
[Repeated 3 time(s)]
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
11 atoms, 10 bonds, 1 residue, 1 model selected
> hide sel atoms
[Repeated 1 time(s)]
> show sel atoms
> hide sel atoms
> movie record
> turn y 2 180
> wait 180
> movie encode /Users/dout2/Desktop/movie1.mp4
Movie saved to /Users/dout2/Desktop/movie1.mp4
> hide #!16 models
> hide #!14 models
> hide #!8 models
> hide #6 models
> show #6 models
> select
> :28,31,35,142,145,200,203,204,207,223,226,227,230,231,234,346,350,353,354,378,382,435,438,439,442,462,465,466,469
1966 atoms, 1824 bonds, 250 residues, 8 models selected
> show sel & #6#!4 atoms
> hide sel & #6#!4 atoms
> show #!16 models
> show #!14 models
> show #!10 models
> hide #!10 models
> show #!8 models
> show #1 models
> view
> select clear
Drag select of 23 residues
> select clear
[Repeated 1 time(s)]
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #1 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo-coot-4_real_space_refined_004.pdb, chain A (#1), sequence alignment
score = 2582.7
RMSD between 500 pruned atom pairs is 0.389 angstroms; (across all 500 pairs:
0.389)
> matchmaker #!4 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PAH-coot-7_real_space_refined_007.pdb, chain A (#4), sequence alignment
score = 2547.2
RMSD between 494 pruned atom pairs is 0.541 angstroms; (across all 494 pairs:
0.541)
> matchmaker #!8 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8bw7.pdb, chain A (#8), sequence alignment score = 2492.5
RMSD between 483 pruned atom pairs is 0.880 angstroms; (across all 492 pairs:
0.934)
> matchmaker #!10 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-AKG_8omu.pdb, chain A (#10), sequence alignment score = 2456.5
RMSD between 480 pruned atom pairs is 0.876 angstroms; (across all 492 pairs:
0.968)
> matchmaker #!12 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-apo_8bvr.pdb, chain A (#12), sequence alignment score = 2447.5
RMSD between 481 pruned atom pairs is 0.838 angstroms; (across all 495 pairs:
0.921)
> matchmaker #!14 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-PBD_8bvt.pdb, chain A (#14), sequence alignment score = 2439.7
RMSD between 487 pruned atom pairs is 0.832 angstroms; (across all 498 pairs:
0.989)
> matchmaker #!16 to #6
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 rOAT1-PBD-coot-4_real_space_refined_004.pdb, chain A (#6) with
rOAT1-TFV_8bvs.pdb, chain A (#16), sequence alignment score = 2464.3
RMSD between 483 pruned atom pairs is 0.804 angstroms; (across all 495 pairs:
0.869)
> save "/Users/dout2/Documents/Manuscripts/rOAT1_2023/rOAT1_SimonLab/Compare
> with our structure.cxs" includeMaps true
——— End of log from Sun Aug 27 22:20:39 2023 ———
opened ChimeraX session
OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2 Max
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: Mac14,5
Model Number: MPHG3LL/A
Chip: Apple M2 Max
Total Number of Cores: 12 (8 performance and 4 efficiency)
Memory: 32 GB
System Firmware Version: 8422.141.2
OS Loader Version: 8422.141.2
Software:
System Software Overview:
System Version: macOS 13.5 (22G74)
Kernel Version: Darwin 22.6.0
Time since boot: 14 days, 43 minutes
Graphics/Displays:
Apple M2 Max:
Chipset Model: Apple M2 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 30
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3024 x 1964 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
R240HY:
Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Mirror: Off
Online: Yes
Rotation: Supported
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
ChimeraX-AddH: 2.2.3
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
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: 1.3.3
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
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: 1.10.2
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.1
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-ToQuest: 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
Change History (2)
comment:1 by , 2 years ago
| Cc: | added |
|---|---|
| Component: | Unassigned → Window Toolkit |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0 |
comment:2 by , 2 years ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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