Opened 2 years ago
Closed 2 years ago
#9003 closed defect (can't reproduce)
Crash in removeRow() when Modeller Comparative tool shown again
Reported by: | Owned by: | Eric Pettersen | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Structure Prediction | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.16-x86_64-i386-64bit ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC) Description Last time you used ChimeraX it crashed. Please describe steps that led to the crash here. Fatal Python error: Segmentation fault Thread 0x000070000f225000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 316 in wait File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 574 in wait File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 1297 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700005554000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 316 in wait File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 574 in wait File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 1297 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700019243000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 576 in _handle_results File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700018240000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 528 in _handle_tasks File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x000070001723d000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/selectors.py", line 416 in select File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/connection.py", line 936 in wait File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 499 in _wait_for_updates File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 519 in _handle_workers File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x000070001623a000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700015237000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700014234000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700013231000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x000070001222e000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x000070001122b000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x0000700010228000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Thread 0x000070000e222000 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/multiprocessing/pool.py", line 114 in worker File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 910 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 973 in _bootstrap_inner File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/threading.py", line 930 in _bootstrap Current thread 0x00007ff84bb96680 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/modeller/tool.py", line 340 in _update_sequence_menus File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/seqalign/widgets.py", line 34 in _items_change File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/widgets/item_chooser.py", line 79 in showEvent File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 2454 in shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 2197 in _mw_set_shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 1891 in _tool_window_request_shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 2100 in shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 793 in set_tool_shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 350 in set_tool_shown File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/tools.py", line 175 in File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 368 in thread_safe File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/tools.py", line 174 in display File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/cmd.py", line 210 in ui_tool_show File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/cli.py", line 2897 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/commands/run.py", line 38 in run File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 1656 in File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 275 in event_loop File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 892 in init File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 1043 in File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 197 in _run_module_as_main {"app_name":"ChimeraX","timestamp":"2023-05-12 11:49:32.00 -0400","app_version":"1.6.1","slice_uuid":"5df621ee-554e-36a8-b448-93b2334e5480","build_version":"1.6.1.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":0,"is_first_party":0,"bug_type":"309","os_version":"macOS 13.2.1 (22D68)","roots_installed":0,"name":"ChimeraX","incident_id":"0D79F755-8C46-4989-A99B-83B9D094C0AE"} { "uptime" : 4000, "procRole" : "Foreground", "version" : 2, "userID" : 501, "deployVersion" : 210, "modelCode" : "MacBookPro16,2", "coalitionID" : 565, "osVersion" : { "train" : "macOS 13.2.1", "build" : "22D68", "releaseType" : "User" }, "captureTime" : "2023-05-12 11:49:29.7308 -0400", "incident" : "0D79F755-8C46-4989-A99B-83B9D094C0AE", "pid" : 492, "cpuType" : "X86-64", "roots_installed" : 0, "bug_type" : "309", "procLaunch" : "2023-05-12 10:41:52.2364 -0400", "procStartAbsTime" : 18569821246, "procExitAbsTime" : 4076083049706, "procName" : "ChimeraX", "procPath" : "\/Applications\/ChimeraX-1.6.1.app\/Contents\/MacOS\/ChimeraX", "bundleInfo" : {"CFBundleShortVersionString":"1.6.1","CFBundleVersion":"1.6.1.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"}, "storeInfo" : {"deviceIdentifierForVendor":"3E438169-16F6-591F-8656-2489DFFEB8E2","thirdParty":true}, "parentProc" : "launchd", "parentPid" : 1, "coalitionName" : "edu.ucsf.cgl.ChimeraX", "crashReporterKey" : "3223F3F7-D3F2-3BE2-1352-3B6C6784B010", "throttleTimeout" : 2147483647, "bridgeVersion" : {"build":"20P3045","train":"7.2"}, "sip" : "enabled", "vmRegionInfo" : "0xf8 is not in any region. Bytes before following region: 140737487187720\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n shared memory 7fffffee3000-7fffffee4000 [ 4K] r-x\/r-x SM=SHM ", "exception" : {"codes":"0x0000000000000001, 0x00000000000000f8","rawCodes":[1,248],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x00000000000000f8"}, "ktriageinfo" : "VM - Waiting on busy page was interrupted\n", "vmregioninfo" : "0xf8 is not in any region. Bytes before following region: 140737487187720\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n shared memory 7fffffee3000-7fffffee4000 [ 4K] r-x\/r-x SM=SHM ", "extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0}, "faultingThread" : 0, "threads" : 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All rights reserved. How to cite UCSF ChimeraX > open "/Users/pierceherbert/Desktop/Research/Group 1/Tam I/6XA2.pdb" format > pdb 6XA2.pdb title: Structure of the tirandamycin C-bound P450 monooxygenase tami [more info...] Chain information for 6XA2.pdb #1 --- Chain | Description | UniProt A B E F G H | TAMI | D3Y1J3_9ACTN 2-413 C | TAMI | D3Y1J3_9ACTN 2-413 D | TAMI | D3Y1J3_9ACTN 2-413 Non-standard residues in 6XA2.pdb #1 --- HEM — protoporphyrin IX containing Fe (HEME) V0A — (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione (tirandamycin C) > open /Users/pierceherbert/Desktop/Research/CYP168A1.fasta Summary of feedback from opening /Users/pierceherbert/Desktop/Research/CYP168A1.fasta --- note | Alignment identifier is CYP168A1.fasta Opened 1 sequences from CYP168A1.fasta > open "/Users/pierceherbert/Desktop/Research/Models/TAMI/TAM I:tirandamycin > C.fasta" Summary of feedback from opening /Users/pierceherbert/Desktop/Research/Models/TAMI/TAM I:tirandamycin C.fasta --- notes | Illegal ':' character in alignment identifier replaced with '/' Alignment identifier is TAM I/tirandamycin C.fasta Associated 6XA2.pdb chain A to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain B to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain E to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain F to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain G to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches 3 messages similar to the above omitted Showing conservation header ("seq_conservation" residue attribute) for alignment TAM I/tirandamycin C.fasta Opened 2 sequences from TAM I:tirandamycin C.fasta > select all 25091 atoms, 25438 bonds, 40 pseudobonds, 3422 residues, 3 models selected > hide sel atoms > select #1/A 3166 atoms, 3199 bonds, 5 pseudobonds, 440 residues, 3 models selected > show sel cartoons > ui tool show "Modeller Comparative" > modeller comparative "TAM I/tirandamycin C.fasta:2" numModels 10 fast false > multichain true hetPreserve true hydrogens false waterPreserve false Cannot preserve water/het with more than one template per target; not preserving Webservices job id: 531O745PHT3ICK2A > ui mousemode right select Drag select of 399 residues, 1 pseudobonds > select clear Drag select of 399 residues, 1 pseudobonds > select clear Drag select of 27 residues > select clear > ui mousemode right translate Modeller job (ID 531O745PHT3ICK2A) finished Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 790.3 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 812.6 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 788.4 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 804 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 815.2 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 825 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 788 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 812 RMSD between 2859 pruned atom pairs is 1.029 angstroms; (across all 3137 pairs: 2.540) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 796.8 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 803.4 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 779.4 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 807.8 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 788.5 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 808.6 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 812.6 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 809.7 RMSD between 2759 pruned atom pairs is 0.985 angstroms; (across all 3137 pairs: 2.557) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 821.4 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 804.7 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 796.9 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 800.4 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 794.8 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 798.7 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 798.2 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 795.7 RMSD between 2425 pruned atom pairs is 1.140 angstroms; (across all 3137 pairs: 2.759) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 789.6 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 823.4 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 795.6 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 804 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 808 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 805.3 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 791.1 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 812 RMSD between 2128 pruned atom pairs is 1.117 angstroms; (across all 3137 pairs: 3.340) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 796.8 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 801 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 777.6 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 830 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 798.7 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 815.2 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 801.8 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 812 RMSD between 2315 pruned atom pairs is 1.231 angstroms; (across all 3137 pairs: 2.929) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 796.1 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 810.6 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 788.4 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 793.3 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 813.7 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 803.5 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 805.4 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 830 RMSD between 2234 pruned atom pairs is 0.993 angstroms; (across all 3137 pairs: 2.967) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 803.3 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 776.6 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 781.2 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 804 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 788.5 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 798.7 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 797.6 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 825.8 RMSD between 2809 pruned atom pairs is 0.938 angstroms; (across all 3137 pairs: 2.605) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 808.2 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 798.7 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 774 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 804 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 787.3 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 797.5 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 754.4 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 811.4 RMSD between 2778 pruned atom pairs is 1.059 angstroms; (across all 3137 pairs: 2.615) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 812.4 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 808.8 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 791.4 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 832.8 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 807.7 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 795.7 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 791.6 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 820 RMSD between 2708 pruned atom pairs is 1.005 angstroms; (across all 3137 pairs: 2.597) Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#), sequence alignment score = 803.3 Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain B (#), sequence alignment score = 810.6 Matchmaker 6XA2.pdb, chain C (#1) with cyp168a1, chain C (#), sequence alignment score = 782.9 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#), sequence alignment score = 807.6 Matchmaker 6XA2.pdb, chain E (#1) with cyp168a1, chain E (#), sequence alignment score = 786.7 Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain F (#), sequence alignment score = 788.5 Matchmaker 6XA2.pdb, chain G (#1) with cyp168a1, chain G (#), sequence alignment score = 804.8 Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#), sequence alignment score = 823.5 RMSD between 2528 pruned atom pairs is 1.049 angstroms; (across all 3137 pairs: 2.833) Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Associated cyp168a1 chain A to cyp168a1 with 0 mismatches Associated cyp168a1 chain B to cyp168a1 with 0 mismatches Associated cyp168a1 chain C to cyp168a1 with 0 mismatches Associated cyp168a1 chain D to cyp168a1 with 0 mismatches Associated cyp168a1 chain E to cyp168a1 with 0 mismatches Associated cyp168a1 chain F to cyp168a1 with 0 mismatches Associated cyp168a1 chain G to cyp168a1 with 0 mismatches Associated cyp168a1 chain H to cyp168a1 with 0 mismatches Chain information for cyp168a1 --- Chain | Description 2.1/A 2.2/A 2.3/A 2.4/A 2.5/A 2.6/A 2.7/A 2.8/A 2.9/A 2.10/A 2.1/B 2.2/B 2.3/B 2.4/B 2.5/B 2.6/B 2.7/B 2.8/B 2.9/B 2.10/B 2.1/C 2.2/C 2.3/C 2.4/C 2.5/C 2.6/C 2.7/C 2.8/C 2.9/C 2.10/C 2.1/D 2.2/D 2.3/D 2.4/D 2.5/D 2.6/D 2.7/D 2.8/D 2.9/D 2.10/D 2.1/E 2.2/E 2.3/E 2.4/E 2.5/E 2.6/E 2.7/E 2.8/E 2.9/E 2.10/E 2.1/F 2.2/F 2.3/F 2.4/F 2.5/F 2.6/F 2.7/F 2.8/F 2.9/F 2.10/F 2.1/G 2.2/G 2.3/G 2.4/G 2.5/G 2.6/G 2.7/G 2.8/G 2.9/G 2.10/G 2.1/H 2.2/H 2.3/H 2.4/H 2.5/H 2.6/H 2.7/H 2.8/H 2.9/H 2.10/H | No description available Associated cyp168a1 (2.1) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.1) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.2) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.3) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.4) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.5) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.6) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.7) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.8) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.9) chain H to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain A to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain B to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain C to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain D to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain E to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain F to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain G to CYP168A1 with 0 mismatches Associated cyp168a1 (2.10) chain H to CYP168A1 with 0 mismatches > select all 303731 atoms, 310798 bonds, 40 pseudobonds, 38942 residues, 14 models selected > hide sel atoms > select #2.1/A 3483 atoms, 3567 bonds, 444 residues, 1 model selected > show sel cartoons > ui tool show "Modeller Comparative" > ui tool show Matchmaker > matchmaker #2.1-10 to #1 Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain F (#2.1), sequence alignment score = 830.9 RMSD between 360 pruned atom pairs is 0.529 angstroms; (across all 392 pairs: 1.949) Matchmaker 6XA2.pdb, chain B (#1) with cyp168a1, chain G (#2.2), sequence alignment score = 822.8 RMSD between 346 pruned atom pairs is 0.424 angstroms; (across all 393 pairs: 2.552) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain A (#2.3), sequence alignment score = 824.9 RMSD between 359 pruned atom pairs is 0.548 angstroms; (across all 392 pairs: 2.384) Matchmaker 6XA2.pdb, chain F (#1) with cyp168a1, chain B (#2.4), sequence alignment score = 824 RMSD between 364 pruned atom pairs is 0.329 angstroms; (across all 393 pairs: 2.404) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#2.5), sequence alignment score = 830 RMSD between 365 pruned atom pairs is 0.264 angstroms; (across all 392 pairs: 2.365) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain H (#2.6), sequence alignment score = 830.1 RMSD between 355 pruned atom pairs is 0.448 angstroms; (across all 392 pairs: 2.633) Matchmaker 6XA2.pdb, chain H (#1) with cyp168a1, chain H (#2.7), sequence alignment score = 825.8 RMSD between 365 pruned atom pairs is 0.302 angstroms; (across all 393 pairs: 1.849) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain A (#2.8), sequence alignment score = 824.3 RMSD between 359 pruned atom pairs is 0.519 angstroms; (across all 392 pairs: 1.919) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain D (#2.9), sequence alignment score = 832.8 RMSD between 363 pruned atom pairs is 0.288 angstroms; (across all 392 pairs: 2.441) Matchmaker 6XA2.pdb, chain D (#1) with cyp168a1, chain H (#2.10), sequence alignment score = 823.6 RMSD between 357 pruned atom pairs is 0.466 angstroms; (across all 392 pairs: 2.419) > ui tool show Matchmaker > matchmaker #2.1/A to #1/A pairing ss Parameters --- Chain pairing | ss 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 6XA2.pdb, chain A (#1) with cyp168a1, chain A (#2.1), sequence alignment score = 790.3 RMSD between 375 pruned atom pairs is 0.288 angstroms; (across all 393 pairs: 1.357) > save "/Users/pierceherbert/Desktop/Research/Models/TAMI/TAMI/tirandomycin C > models.pdb" Cannot save '/Users/pierceherbert/Desktop/Research/Models/TAMI/TAMI/tirandomycin C models.pdb': Unable to open file '/Users/pierceherbert/Desktop/Research/Models/TAMI/TAMI/tirandomycin C models.pdb' for writing > save "/Users/pierceherbert/Desktop/Research/Models/TAMI/TAMI_tirandomycin > C_models.pdb" > close #2 > open "/Users/pierceherbert/Desktop/Research/Models/TAMI/TAM I:tirandamycin C > chop chop.fasta" Summary of feedback from opening /Users/pierceherbert/Desktop/Research/Models/TAMI/TAM I:tirandamycin C chop chop.fasta --- notes | Illegal ':' character in alignment identifier replaced with '/' Alignment identifier is TAM I/tirandamycin C chop chop.fasta Associated 6XA2.pdb chain A to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain B to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain E to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain F to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches Associated 6XA2.pdb chain G to 6XA2_1|Chains A, B, C, D, E, F, G, H|TamI|Streptomyces sp. 307-9 (529089) with 0 mismatches 3 messages similar to the above omitted Showing conservation header ("seq_conservation" residue attribute) for alignment TAM I/tirandamycin C chop chop.fasta Opened 2 sequences from TAM I:tirandamycin C chop chop.fasta > ui tool show "Modeller Comparative" ===== Log before crash end ===== Log: UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX OpenGL version: 4.1 INTEL-20.2.50 OpenGL renderer: Intel(R) Iris(TM) Plus Graphics OpenGL Engine OpenGL vendor: Intel Inc. Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro16,2 Processor Name: Quad-Core Intel Core i5 Processor Speed: 2 GHz Number of Processors: 1 Total Number of Cores: 4 L2 Cache (per Core): 512 KB L3 Cache: 6 MB Hyper-Threading Technology: Enabled Memory: 16 GB System Firmware Version: 1916.80.2.0.0 (iBridge: 20.16.3045.0.0,0) OS Loader Version: 564.40.4~66 Software: System Software Overview: System Version: macOS 13.2.1 (22D68) Kernel Version: Darwin 22.3.0 Time since boot: 1 hour, 8 minutes Graphics/Displays: Intel Iris Plus Graphics: Chipset Model: Intel Iris Plus Graphics Type: GPU Bus: Built-In VRAM (Dynamic, Max): 1536 MB Vendor: Intel Device ID: 0x8a53 Revision ID: 0x0007 Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 2560 x 1600 Retina Framebuffer Depth: 30-Bit Color (ARGB2101010) Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: No Connection Type: Internal Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 appnope: 0.1.3 asttokens: 2.2.1 Babel: 2.12.1 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 build: 0.10.0 certifi: 2021.10.8 cftime: 1.6.2 charset-normalizer: 3.1.0 ChimeraX-AddCharge: 1.5.9.1 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.3.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.9.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.43.10 ChimeraX-AtomicLibrary: 10.0.6 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.1 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.8 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3.1 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.3 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.6.1 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.1 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.1 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-Label: 1.1.7 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.2 ChimeraX-Map: 1.1.4 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.0.12 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.9 ChimeraX-ModelPanel: 1.3.7 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.0 ChimeraX-NRRD: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.10.1 ChimeraX-PDB: 2.7.2 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 3.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.1 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.8.3 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.1 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.10.3 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Topography: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.28.4 ChimeraX-uniprot: 2.2.2 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.1 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.1.3 contourpy: 1.0.7 cxservices: 1.2.2 cycler: 0.11.0 Cython: 0.29.33 debugpy: 1.6.7 decorator: 5.1.1 docutils: 0.19 executing: 1.2.0 filelock: 3.9.0 fonttools: 4.39.3 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.8.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.35 imagecodecs: 2022.2.22 imagesize: 1.4.1 importlib-metadata: 6.6.0 ipykernel: 6.21.1 ipython: 8.10.0 ipython-genutils: 0.2.0 ipywidgets: 8.0.6 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.0.2 jupyter-core: 5.3.0 jupyterlab-widgets: 3.0.7 kiwisolver: 1.4.4 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.2 matplotlib: 3.6.3 matplotlib-inline: 0.1.6 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.2 networkx: 2.8.8 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.4 numpy: 1.23.5 openvr: 1.23.701 packaging: 21.3 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 9.3.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 3.5.0 prompt-toolkit: 3.0.38 psutil: 5.9.4 ptyprocess: 0.7.0 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.14.0 pynrrd: 1.0.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.4.2 PyQt6-Qt6: 6.4.3 PyQt6-sip: 13.4.1 PyQt6-WebEngine-commercial: 6.4.0 PyQt6-WebEngine-Qt6: 6.4.3 python-dateutil: 2.8.2 pytz: 2023.3 pyzmq: 25.0.2 qtconsole: 5.4.0 QtPy: 2.3.1 RandomWords: 0.4.0 requests: 2.28.2 scipy: 1.9.3 setuptools: 67.4.0 setuptools-scm: 7.0.5 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.4.1 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.4 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.1 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 stack-data: 0.6.2 tables: 3.7.0 tcia-utils: 1.2.0 tifffile: 2022.10.10 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.3.1 traitlets: 5.9.0 typing-extensions: 4.5.0 tzdata: 2023.3 urllib3: 1.26.15 wcwidth: 0.2.6 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.7 zipp: 3.15.0
Change History (2)
comment:1 by , 2 years ago
Component: | Unassigned → Structure Prediction |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Crash in removeRow() when Modeller Comparative tool shown again |
comment:2 by , 2 years ago
Resolution: | → can't reproduce |
---|---|
Status: | accepted → closed |
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Tried various scenarios of adding/deleting alignments while tool not showing; bupkis.