Opened 18 months ago
Closed 18 months ago
#14970 closed defect (can't reproduce)
Crash in QTabBar:paintEvent(). QPainter::begin: Paint device returned engine == 0, type: 3
Reported by: | Owned by: | Tom Goddard | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Window Toolkit | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description (last modified by )
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 0x0000000324e67000 (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 0x0000000323e64000 (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 0x0000000322e61000 (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 0x0000000321e5e000 (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 0x0000000320e5b000 (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 0x000000031fe58000 (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 0x000000031ee55000 (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 0x000000031de52000 (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 0x000000031ce4f000 (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 0x000000031be4c000 (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 0x000000031ae49000 (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 0x0000000319e46000 (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 0x0000000318e43000 (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 0x0000000204586240 (most recent call first): File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 275 in event_loop File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 892 in init File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 1043 in File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 197 in _run_module_as_main {"app_name":"ChimeraX","timestamp":"2024-04-17 19:11:11.00 +0200","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 14.3.1 (23D60)","roots_installed":0,"name":"ChimeraX","incident_id":"21D474CA-306F-41FC-B604-20E7D2D8C06E"} { "uptime" : 1300000, "procRole" : "Background", "version" : 2, "userID" : 501, "deployVersion" : 210, "modelCode" : "MacBookPro18,1", "coalitionID" : 230639, "osVersion" : { "train" : "macOS 14.3.1", "build" : "23D60", "releaseType" : "User" }, "captureTime" : "2024-04-17 18:29:28.1389 +0200", "codeSigningMonitor" : 1, "incident" : "21D474CA-306F-41FC-B604-20E7D2D8C06E", "pid" : 24084, "translated" : true, "cpuType" : "X86-64", "roots_installed" : 0, "bug_type" : "309", "procLaunch" : "2024-04-17 16:25:51.4503 +0200", "procStartAbsTime" : 33345609699000, "procExitAbsTime" : 33523608044571, "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":"9550DBF0-DC1E-5AB0-81FB-E3F4CE21409E","thirdParty":true}, "parentProc" : "launchd", "parentPid" : 1, "coalitionName" : "edu.ucsf.cgl.ChimeraX", "crashReporterKey" : "14C998C3-1AA5-72F8-4832-A833B8517703", "codeSigningID" : "edu.ucsf.cgl.ChimeraX", "codeSigningTeamID" : "LWV8X224YF", "codeSigningFlags" : 570491649, "codeSigningValidationCategory" : 6, "codeSigningTrustLevel" : 4294967295, "wakeTime" : 15219, "sleepWakeUUID" : "B0C2B993-45F1-4B3B-B82F-4F4F9D7BA8D5", "sip" : "enabled", "vmRegionInfo" : "0x18 is not in any region. Bytes before following region: 140723103432680\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n mapped file 7ffca6978000-7ffccf728000 [653.7M] r-x\/r-x SM=COW ...t_id=8eef92bb", "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":24084}, "vmregioninfo" : "0x18 is not in any region. Bytes before following region: 140723103432680\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n mapped file 7ffca6978000-7ffccf728000 [653.7M] r-x\/r-x SM=COW ...t_id=8eef92bb", "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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43.3M 414 \n__DATA_DIRTY 1820K 223 \n__FONT_DATA 2352 1 \n__GLSLBUILTINS 5174K 1 \n__INFO_FILTER 8 1 \n__LINKEDIT 231.8M 192 \n__OBJC_RO 71.1M 1 \n__OBJC_RW 2170K 2 \n__TEXT 1.0G 819 \ndyld private memory 648K 6 \nmapped file 7.4G 1534 \nshared memory 3540K 30 \nunshared pmap 14.3M 9 \n=========== ======= ======= \nTOTAL 31.6G 8060 \nTOTAL, minus reserved VM space 31.4G 8060 \n", "legacyInfo" : { "threadTriggered" : { "name" : "CrBrowserMain", "queue" : "com.apple.main-thread" } }, "logWritingSignature" : "5763a4940c77f8a69ecc440bdbae715a78939823", "trialInfo" : { "rollouts" : [ { "rolloutId" : "62699e1ec1ff2978b47f6c3b", "factorPackIds" : { "SIRI_FIND_MY_CONFIGURATION_FILES" : "652805151bce5442b8d752e1" }, "deploymentId" : 240000031 }, { "rolloutId" : "6246d6a916a70b047e454124", "factorPackIds" : { }, "deploymentId" : 240000010 } ], "experiments" : [ { "treatmentId" : "130776ea-444f-4cb4-8def-f71b4f47391b", "experimentId" : "66105e203b960674f9490906", "deploymentId" : 400000001 } ] }, "reportNotes" : [ "PC register does not match crashing frame (0x0 vs 0x7FF8A14D6A78)" ] } ===== Log before crash start ===== Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle You can double click a model's Name or ID in the model panel to edit those fields UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open 1F8A, 1PIN, 1ZCN, 2F21, 2ITK, 2Q5A, 2XP3, 2XP4, 2XP5, 2XP6, 2XP7, 2XP8, > 2XP9, 2XPA, 2XPB, 2ZQS, 2ZQT, 2ZQU, 2ZQV, 2ZR4, 2ZR5, 2ZR6, 3I6C, 3IK8, > 3IKD, 3IKG, 3JYJ, 3KAB, 3KAC, 3KAD, 3KAF, 3KAG, 3KAH, 3KAI, 3KCE, 3NTP, > 3ODK, 3OOB, 3TC5, 3TCZ, 3TDB, 3WH0, 4GWT, 4GWV, 4QIB, 4TNS, 4TYO, 4U84, > 4U85, 4U86, 5B3W, 5B3X, 5B3Y, 5B3Z, 5BMY, 5UY9, 5VTI, 5VTJ, 5VTK, 6DUN, > 6O33, 6O34, 6VAJ, 7AOG, 7AXN, 7AYF, 7AZ1, 7AZ2, 7BDP, 7BDT, 7BDY, 7BFW, > 7BG3, 7BGQ, 7BGR, 7BGV, 7BGW, 7EFJ, 7EFX, 7EKV, 7F0M, 7NIF, 7NIG, 7NJ6, > 7NJ8, 7NJA, 7NRK, 7NRL, 7OQ9, 7OQA, 8C2G, 8C3C '1F8A,' has no suffix > open 1F8A, 1PIN, 1ZCN, 2F21, 2ITK, 2Q5A, 2XP3, 2XP4, 2XP5, 2XP6, 2XP7, 2XP8, > 2XP9, 2XPA, 2XPB, 2ZQS, 2ZQT, 2ZQU, 2ZQV, 2ZR4, 2ZR5, 2ZR6, 3I6C, 3IK8, > 3IKD, 3IKG, 3JYJ, 3KAB, 3KAC, 3KAD, 3KAF, 3KAG, 3KAH, 3KAI, 3KCE, 3NTP, > 3ODK, 3OOB, 3TC5, 3TCZ, 3TDB, 3WH0, 4GWT, 4GWV, 4QIB, 4TNS, 4TYO, 4U84, > 4U85, 4U86, 5B3W, 5B3X, 5B3Y, 5B3Z, 5BMY, 5UY9, 5VTI, 5VTJ, 5VTK, 6DUN, > 6O33, 6O34, 6VAJ, 7AOG, 7AXN, 7AYF, 7AZ1, 7AZ2, 7BDP, 7BDT, 7BDY, 7BFW, > 7BG3, 7BGQ, 7BGR, 7BGV, 7BGW, 7EFJ, 7EFX, 7EKV, 7F0M, 7NIF, 7NIG, 7NJ6, > 7NJ8, 7NJA, 7NRK, 7NRL, 7OQ9, 7OQA, 8C2G, 8C3C '1F8A,' has no suffix > open 1f8a.pdb No such file/path: 1f8a.pdb > open pdb 1f8a 'pdb' has no suffix > open pdb 1f8a.pdb 'pdb' has no suffix > fetch 7nif Unknown command: fetch 7nif > open 1stp **** TomG: Deleted several thousand lines to stay within Trac limit **** --- CA — calcium ion CL — chloride ion S6B — 3-chloranyl-4-imidazol-1-yl-benzaldehyde 7axn mmCIF Assemblies --- 1| author_and_software_defined_assembly 7ayf title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound TCF521-110 [more info...] Chain information for 7ayf #66 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7ayf #66 --- CA — calcium ion S9E — 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde 7ayf mmCIF Assemblies --- 1| author_and_software_defined_assembly 7az1 title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1013 [more info...] Chain information for 7az1 #67 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7az1 #67 --- CA — calcium ion CL — chloride ion SGH — 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole 7az1 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7az2 title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1014 [more info...] Chain information for 7az2 #68 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 116-132 Non-standard residues in 7az2 #68 --- CA — calcium ion CL — chloride ion SFW — 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole 7az2 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bdp title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1017 [more info...] Chain information for 7bdp #69 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bdp #69 --- MG — magnesium ion TJB — 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde (LvD1017) 7bdp mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bdt title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1009 [more info...] Chain information for 7bdt #70 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bdt #70 --- MG — magnesium ion TJ8 — 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde (LvD1009) 7bdt mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bdy title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound PC2068B [more info...] Chain information for 7bdy #71 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bdy #71 --- CA — calcium ion CL — chloride ion MG — magnesium ion TJK — 2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl- phenyl)imidazol-1-yl]benzaldehyde (PC2068B) 7bdy mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bfw title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound PC2068A [more info...] Chain information for 7bfw #72 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bfw #72 --- CA — calcium ion CL — chloride ion TKH — [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl- phenyl]methanol 7bfw mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bg3 title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound PC2046 [more info...] Chain information for 7bg3 #73 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bg3 #73 --- CA — calcium ion CL — chloride ion TKK — 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole 7bg3 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bgq title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1019 [more info...] Chain information for 7bgq #74 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bgq #74 --- CA — calcium ion CL — chloride ion TL8 — 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde 7bgq mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bgr title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1016 [more info...] Chain information for 7bgr #75 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bgr #75 --- CA — calcium ion CL — chloride ion TQK — 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde 7bgr mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bgv title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1012 [more info...] Chain information for 7bgv #76 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bgv #76 --- CA — calcium ion CL — chloride ion MG — magnesium ion TLK — 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde 7bgv mmCIF Assemblies --- 1| author_and_software_defined_assembly 7bgw title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1011 [more info...] Chain information for 7bgw #77 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7bgw #77 --- CA — calcium ion CL — chloride ion NA — sodium ion TLQ — 4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde 7bgw mmCIF Assemblies --- 1| author_and_software_defined_assembly 7efj title: Crystal Structure Analysis of human PIN1 [more info...] Chain information for 7efj #78 --- Chain | Description | UniProt A | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 Non-standard residues in 7efj #78 --- J2C — 8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one PE8 — 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol 7efx title: Crystal Structure of human PIN1 complexed with covalent inhibitor [more info...] Chain information for 7efx #79 --- Chain | Description | UniProt A | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 Non-standard residues in 7efx #79 --- J3X — 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one 7ekv title: Crystal Structure of human Pin1 complexed with a covalent inhibitor [more info...] Chain information for 7ekv #80 --- Chain | Description | UniProt A | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 Non-standard residues in 7ekv #80 --- J50 — 8-(2-chloroacetyl)-4-((5-phenylfuran-2-yl)methyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one PE8 — 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol 7f0m title: Crystal Structure of human Pin1 complexed with a potent covalent inhibitor [more info...] Chain information for 7f0m #81 --- Chain | Description | UniProt A B C D | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 Non-standard residues in 7f0m #81 --- 0BF — 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one P33 — 3,6,9,12,15,18-hexaoxaicosane-1,20-diol (heptaethylene glycol; PEG330) 7f0m mmCIF Assemblies --- 1| author_defined_assembly 2| author_defined_assembly 3| author_defined_assembly 4| author_defined_assembly 7nif title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound TCF521-011 [more info...] Chain information for 7nif #82 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nif #82 --- CA — calcium ion CL — chloride ion P5N — 1-(4-methylphenyl)imidazole 7nif mmCIF Assemblies --- 1| author_and_software_defined_assembly 7nig title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1008 [more info...] Chain information for 7nig #83 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nig #83 --- CA — calcium ion CL — chloride ion UFH — 2-bromanyl-4-imidazol-1-yl-benzaldehyde 7nig mmCIF Assemblies --- 1| author_and_software_defined_assembly 7nj6 title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1005 [more info...] Chain information for 7nj6 #93 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nj6 #93 --- CA — calcium ion UG5 — 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde 7nj6 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7nj8 title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1007 [more info...] Chain information for 7nj8 #94 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nj8 #94 --- CA — calcium ion JFS — [4-(1H-benzimidazol-1-yl)phenyl]methanol MG — magnesium ion 7nj8 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7nja title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1006 [more info...] Chain information for 7nja #95 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nja #95 --- CL — chloride ion UG2 — [4-(2-phenylimidazol-1-yl)phenyl]methanol 7nja mmCIF Assemblies --- 1| author_and_software_defined_assembly 7nrk title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1002F1 [more info...] Chain information for 7nrk #96 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nrk #96 --- CA — calcium ion CL — chloride ion PEG — di(hydroxyethyl)ether UPQ — 4-(4-methylimidazol-1-yl)benzaldehyde 7nrk mmCIF Assemblies --- 1| author_defined_assembly 7nrl title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound LvD1032 [more info...] Chain information for 7nrl #97 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7nrl #97 --- GOL — glycerol (glycerin; propane-1,2,3-triol) MG — magnesium ion PEG — di(hydroxyethyl)ether UPK — 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol 7nrl mmCIF Assemblies --- 1| author_defined_assembly 7oq9 title: Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ136 [more info...] Chain information for 7oq9 #98 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7oq9 #98 --- 0AW — ~{N}-[(5-carbamimidoyl-3-phenyl- thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide CL — chloride ion 7oq9 mmCIF Assemblies --- 1| author_and_software_defined_assembly 7oqa title: Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162 [more info...] Chain information for 7oqa #99 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-248 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 7oqa #99 --- 09W — ~{N}-[(5-carbamimidoyl-3-phenyl- thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide CL — chloride ion 7oqa mmCIF Assemblies --- 1| author_and_software_defined_assembly 8c2g title: 14-3-3 σ with Pin1 binding site pS72 and covalently bound CV1040 [more info...] Chain information for 8c2g #100 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-231 P | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 116-132 Non-standard residues in 8c2g #100 --- MG — magnesium ion T85 — 2-iodanyl-4-(2-phenylimidazol-1-yl)benzaldehyde 8c2g mmCIF Assemblies --- 1| author_and_software_defined_assembly 8c3c title: 14-3-3 σ with Pin1 binding site pS72 and bound Fusicoccin A [more info...] Chain information for 8c3c #101 --- Chain | Description | UniProt A | 14-3-3 protein sigma | 1433S_HUMAN 1-231 B | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 61-77 Non-standard residues in 8c3c #101 --- FSC — fusicoccin MG — magnesium ion 8c3c mmCIF Assemblies --- 1| author_and_software_defined_assembly > close #64-77 > close #82-101 > close #51-54 > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX.cxs > select #56/B 65 atoms, 64 bonds, 9 residues, 1 model selected > select add #56 1337 atoms, 1280 bonds, 1 pseudobond, 236 residues, 2 models selected > select subtract #56 Nothing selected > select add #56 1337 atoms, 1280 bonds, 1 pseudobond, 236 residues, 2 models selected > select subtract #56 Nothing selected > select #5/B 49 atoms, 51 bonds, 6 residues, 1 model selected > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > select #9/A 1314 atoms, 1219 bonds, 1 pseudobond, 267 residues, 2 models selected > select #55/A 3349 atoms, 3077 bonds, 732 residues, 1 model selected > select add #55 3372 atoms, 3101 bonds, 734 residues, 1 model selected > hide #55 models > show #55 models > hide #55 models > show #55 models > hide #55 models > show #55 models > hide #55 models > show #55 models > close #55 > select .a Expected an objects specifier or a keyword > select #1:.a Expected an objects specifier or a keyword > select #1:/a Expected an objects specifier or a keyword > select #1:\a Nothing selected > select #1:113\a Nothing selected > select #1:113aa Nothing selected > select #1:113.a Expected an objects specifier or a keyword > select #1:/A Expected an objects specifier or a keyword > select #1:113/A 9 atoms, 8 bonds, 1 residue, 1 model selected > select #1:*/A 1446 atoms, 1322 bonds, 1 pseudobond, 314 residues, 2 models selected > show #!1 target m > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX.cxs > hide #23-27,29,43-44,46-47,57-60#!2-22,28,30-42,45,48-50,56,61-63,78-81 > target m > show #!50 models > select :*/A 91945 atoms, 85654 bonds, 51 pseudobonds, 17782 residues, 110 models selected > show #46 models > show #23-27,29,43-44,46-47,57-60#!1-22,28,30-42,45,48-50,56,61-63,78-81 > target m > show #!81 target m > view #81 clip false > hide #23-27,29,43-44,46-47,57-60#!1-22,28,30-42,45,48-50,56,61-63,78-80 > target m > select :*/A 91945 atoms, 85654 bonds, 51 pseudobonds, 17782 residues, 110 models selected > select :#/A Expected an objects specifier or a keyword > select #:/A Expected an objects specifier or a keyword > select #81:/A Expected an objects specifier or a keyword > select #81 5346 atoms, 4984 bonds, 4 pseudobonds, 1070 residues, 2 models selected > select #81/A 1336 atoms, 1246 bonds, 1 pseudobond, 267 residues, 2 models selected > select /A 75784 atoms, 70409 bonds, 47 pseudobonds, 14936 residues, 108 models selected > show #!80 models > show #!79 models > show #!78 models > show #!63 models > show #!62 models > show #!61 models > hide #!61 models > show #23-27,29,43-44,46-47,57-60#!1-22,28,30-42,45,48-50,56,61 target m > select ~sel 16161 atoms, 15245 bonds, 4 pseudobonds, 2846 residues, 18 models selected > delete atoms (#23-27,29,46-47,60#!1,5-6,56,61-62,81 & sel) > delete bonds (#23-27,29,46-47,60#!1,5-6,56,61-62,81 & sel) > ui tool show Matchmaker > matchmaker #23-27,29,43-44,46-47#!2-22,28,30-42,45 to #63 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 6vaj, chain A (#63) with 3i6c, chain A (#23), sequence alignment score = 583.1 RMSD between 111 pruned atom pairs is 0.344 angstroms; (across all 113 pairs: 0.445) Matchmaker 6vaj, chain A (#63) with 3ik8, chain A (#24), sequence alignment score = 580.1 RMSD between 111 pruned atom pairs is 0.450 angstroms; (across all 113 pairs: 0.537) Matchmaker 6vaj, chain A (#63) with 3ikd, chain A (#25), sequence alignment score = 563.3 RMSD between 111 pruned atom pairs is 0.439 angstroms; (across all 113 pairs: 0.520) Matchmaker 6vaj, chain A (#63) with 3ikg, chain A (#26), sequence alignment score = 583.1 RMSD between 111 pruned atom pairs is 0.409 angstroms; (across all 113 pairs: 0.493) Matchmaker 6vaj, chain A (#63) with 3jyj, chain A (#27), sequence alignment score = 583.1 RMSD between 112 pruned atom pairs is 0.439 angstroms; (across all 113 pairs: 0.480) Matchmaker 6vaj, chain A (#63) with 3kac, chain A (#29), sequence alignment score = 589.4 RMSD between 111 pruned atom pairs is 0.449 angstroms; (across all 113 pairs: 0.541) Matchmaker 6vaj, chain A (#63) with 4gwt, chain A (#43), sequence alignment score = 178.6 RMSD between 33 pruned atom pairs is 0.844 angstroms; (across all 33 pairs: 0.844) Matchmaker 6vaj, chain A (#63) with 4gwv, chain A (#44), sequence alignment score = 178.6 RMSD between 33 pruned atom pairs is 0.829 angstroms; (across all 33 pairs: 0.829) Matchmaker 6vaj, chain A (#63) with 4tns, chain A (#46), sequence alignment score = 581.6 RMSD between 111 pruned atom pairs is 0.430 angstroms; (across all 113 pairs: 0.522) Matchmaker 6vaj, chain A (#63) with 4tyo, chain A (#47), sequence alignment score = 583.1 RMSD between 111 pruned atom pairs is 0.382 angstroms; (across all 113 pairs: 0.473) Matchmaker 6vaj, chain A (#63) with 1pin, chain A (#2), sequence alignment score = 797.2 RMSD between 149 pruned atom pairs is 0.368 angstroms; (across all 150 pairs: 0.443) Matchmaker 6vaj, chain A (#63) with 1zcn, chain A (#3), sequence alignment score = 770 RMSD between 143 pruned atom pairs is 0.285 angstroms; (across all 143 pairs: 0.285) Matchmaker 6vaj, chain A (#63) with 2f21, chain A (#4), sequence alignment score = 783 RMSD between 146 pruned atom pairs is 0.402 angstroms; (across all 148 pairs: 0.486) Matchmaker 6vaj, chain A (#63) with 2itk, chain A (#5), sequence alignment score = 777.1 RMSD between 138 pruned atom pairs is 0.414 angstroms; (across all 145 pairs: 0.827) Matchmaker 6vaj, chain A (#63) with 2q5a, chain A (#6), sequence alignment score = 777.1 RMSD between 138 pruned atom pairs is 0.499 angstroms; (across all 145 pairs: 0.878) Matchmaker 6vaj, chain A (#63) with 2xp3, chain A (#7), sequence alignment score = 777.7 RMSD between 138 pruned atom pairs is 0.529 angstroms; (across all 145 pairs: 0.940) Matchmaker 6vaj, chain A (#63) with 2xp4, chain A (#8), sequence alignment score = 783.1 RMSD between 138 pruned atom pairs is 0.519 angstroms; (across all 144 pairs: 0.862) Matchmaker 6vaj, chain A (#63) with 2xp5, chain A (#9), sequence alignment score = 784.3 RMSD between 138 pruned atom pairs is 0.464 angstroms; (across all 145 pairs: 0.902) Matchmaker 6vaj, chain A (#63) with 2xp6, chain A (#10), sequence alignment score = 780.1 RMSD between 138 pruned atom pairs is 0.424 angstroms; (across all 145 pairs: 0.841) Matchmaker 6vaj, chain A (#63) with 2xp7, chain A (#11), sequence alignment score = 784.3 RMSD between 138 pruned atom pairs is 0.499 angstroms; (across all 145 pairs: 0.899) Matchmaker 6vaj, chain A (#63) with 2xp8, chain A (#12), sequence alignment score = 784.3 RMSD between 137 pruned atom pairs is 0.591 angstroms; (across all 145 pairs: 0.953) Matchmaker 6vaj, chain A (#63) with 2xp9, chain A (#13), sequence alignment score = 783.1 RMSD between 137 pruned atom pairs is 0.515 angstroms; (across all 144 pairs: 0.935) Matchmaker 6vaj, chain A (#63) with 2xpa, chain A (#14), sequence alignment score = 785.5 RMSD between 139 pruned atom pairs is 0.532 angstroms; (across all 146 pairs: 1.085) Matchmaker 6vaj, chain A (#63) with 2xpb, chain A (#15), sequence alignment score = 785.5 RMSD between 138 pruned atom pairs is 0.450 angstroms; (across all 146 pairs: 1.030) Matchmaker 6vaj, chain A (#63) with 2zqs, chain A (#16), sequence alignment score = 783.7 RMSD between 149 pruned atom pairs is 0.279 angstroms; (across all 150 pairs: 0.369) Matchmaker 6vaj, chain A (#63) with 2zqt, chain A (#17), sequence alignment score = 807.4 RMSD between 149 pruned atom pairs is 0.265 angstroms; (across all 150 pairs: 0.321) Matchmaker 6vaj, chain A (#63) with 2zqu, chain A (#18), sequence alignment score = 780.2 RMSD between 149 pruned atom pairs is 0.316 angstroms; (across all 150 pairs: 0.406) Matchmaker 6vaj, chain A (#63) with 2zqv, chain A (#19), sequence alignment score = 763.4 RMSD between 143 pruned atom pairs is 0.498 angstroms; (across all 150 pairs: 0.895) Matchmaker 6vaj, chain A (#63) with 2zr4, chain A (#20), sequence alignment score = 795.1 RMSD between 149 pruned atom pairs is 0.332 angstroms; (across all 150 pairs: 0.404) Matchmaker 6vaj, chain A (#63) with 2zr5, chain A (#21), sequence alignment score = 793 RMSD between 149 pruned atom pairs is 0.438 angstroms; (across all 150 pairs: 0.487) Matchmaker 6vaj, chain A (#63) with 2zr6, chain A (#22), sequence alignment score = 721 RMSD between 149 pruned atom pairs is 0.563 angstroms; (across all 150 pairs: 0.594) Matchmaker 6vaj, chain A (#63) with 3kab, chain A (#28), sequence alignment score = 784.3 RMSD between 138 pruned atom pairs is 0.436 angstroms; (across all 145 pairs: 0.834) Matchmaker 6vaj, chain A (#63) with 3kad, chain A (#30), sequence alignment score = 780.1 RMSD between 136 pruned atom pairs is 0.426 angstroms; (across all 145 pairs: 0.988) Matchmaker 6vaj, chain A (#63) with 3kaf, chain A (#31), sequence alignment score = 776.5 RMSD between 136 pruned atom pairs is 0.637 angstroms; (across all 145 pairs: 1.126) Matchmaker 6vaj, chain A (#63) with 3kag, chain A (#32), sequence alignment score = 784.3 RMSD between 137 pruned atom pairs is 0.442 angstroms; (across all 145 pairs: 0.909) Matchmaker 6vaj, chain A (#63) with 3kah, chain A (#33), sequence alignment score = 766.3 RMSD between 136 pruned atom pairs is 0.422 angstroms; (across all 145 pairs: 1.104) Matchmaker 6vaj, chain A (#63) with 3kai, chain A (#34), sequence alignment score = 784.3 RMSD between 138 pruned atom pairs is 0.543 angstroms; (across all 145 pairs: 0.943) Matchmaker 6vaj, chain A (#63) with 3kce, chain A (#35), sequence alignment score = 785.5 RMSD between 139 pruned atom pairs is 0.475 angstroms; (across all 146 pairs: 0.864) Matchmaker 6vaj, chain A (#63) with 3ntp, chain A (#36), sequence alignment score = 783.1 RMSD between 139 pruned atom pairs is 0.436 angstroms; (across all 147 pairs: 0.889) Matchmaker 6vaj, chain A (#63) with 3odk, chain A (#37), sequence alignment score = 762.7 RMSD between 137 pruned atom pairs is 0.533 angstroms; (across all 145 pairs: 0.960) Matchmaker 6vaj, chain A (#63) with 3oob, chain A (#38), sequence alignment score = 780.4 RMSD between 139 pruned atom pairs is 0.487 angstroms; (across all 146 pairs: 0.951) Matchmaker 6vaj, chain A (#63) with 3tc5, chain A (#39), sequence alignment score = 787.3 RMSD between 138 pruned atom pairs is 0.570 angstroms; (across all 144 pairs: 0.889) Matchmaker 6vaj, chain A (#63) with 3tcz, chain A (#40), sequence alignment score = 770.7 RMSD between 139 pruned atom pairs is 0.422 angstroms; (across all 146 pairs: 0.849) Matchmaker 6vaj, chain A (#63) with 3tdb, chain A (#41), sequence alignment score = 748.5 RMSD between 139 pruned atom pairs is 0.441 angstroms; (across all 146 pairs: 0.846) Matchmaker 6vaj, chain A (#63) with 3wh0, chain A (#42), sequence alignment score = 779.2 RMSD between 135 pruned atom pairs is 0.590 angstroms; (across all 145 pairs: 0.982) Matchmaker 6vaj, chain A (#63) with 4qib, chain A (#45), sequence alignment score = 767.5 RMSD between 136 pruned atom pairs is 0.549 angstroms; (across all 145 pairs: 0.957) > hide #57 models > show #57 models > hide #!56 models > show #!56 models > hide #!56 models > show #!56 models > ui tool show Matchmaker > matchmaker #60 to #63 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 6vaj, chain A (#63) with 6dun, chain A (#60), sequence alignment score = 592 RMSD between 111 pruned atom pairs is 0.311 angstroms; (across all 115 pairs: 0.837) > matchmaker #60 to #63 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 6vaj, chain A (#63) with 6dun, chain A (#60), sequence alignment score = 592 RMSD between 111 pruned atom pairs is 0.311 angstroms; (across all 115 pairs: 0.837) > show #60 target m > view #60 clip false > select add #60 1812 atoms, 1755 bonds, 187 residues, 1 model selected > select subtract #60 Nothing selected > matchmaker #!79 to #63 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 6vaj, chain A (#63) with 7efx, chain A (#79), sequence alignment score = 785.6 RMSD between 141 pruned atom pairs is 0.486 angstroms; (across all 147 pairs: 0.757) > matchmaker #!48 to #63 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 6vaj, chain A (#63) with 4u84, chain A (#48), sequence alignment score = 784.5 RMSD between 135 pruned atom pairs is 0.572 angstroms; (across all 145 pairs: 0.997) > matchmaker #!49-50 to #63 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 6vaj, chain A (#63) with 4u85, chain A (#49), sequence alignment score = 777.3 RMSD between 138 pruned atom pairs is 0.464 angstroms; (across all 145 pairs: 0.859) Matchmaker 6vaj, chain A (#63) with 4u86, chain A (#50), sequence alignment score = 776.8 RMSD between 136 pruned atom pairs is 0.615 angstroms; (across all 145 pairs: 1.012) > matchmaker #!80 to #63 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 6vaj, chain A (#63) with 7ekv, chain A (#80), sequence alignment score = 780.2 RMSD between 140 pruned atom pairs is 0.462 angstroms; (across all 146 pairs: 0.786) > matchmaker #57-59 to #63 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 6vaj, chain A (#63) with 5vti, chain A (#57), sequence alignment score = 154.5 RMSD between 27 pruned atom pairs is 0.556 angstroms; (across all 31 pairs: 1.225) Matchmaker 6vaj, chain A (#63) with 5vtj, chain A (#58), sequence alignment score = 171.2 RMSD between 31 pruned atom pairs is 0.881 angstroms; (across all 33 pairs: 1.320) Matchmaker 6vaj, chain A (#63) with 5vtk, chain A (#59), sequence alignment score = 177.2 RMSD between 33 pruned atom pairs is 0.772 angstroms; (across all 33 pairs: 0.772) > matchmaker #!56 to #63 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 6vaj, chain A (#63) with 5uy9, chain A (#56), sequence alignment score = 771.4 RMSD between 141 pruned atom pairs is 0.572 angstroms; (across all 146 pairs: 0.837) > matchmaker #!81 to #63 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 6vaj, chain A (#63) with 7f0m, chain A (#81), sequence alignment score = 798.8 RMSD between 140 pruned atom pairs is 0.481 angstroms; (across all 146 pairs: 0.814) > matchmaker #!78 to #63 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 6vaj, chain A (#63) with 7efj, chain A (#78), sequence alignment score = 772.4 RMSD between 141 pruned atom pairs is 0.474 angstroms; (across all 147 pairs: 0.776) > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs > select :133/A 75784 atoms, 70409 bonds, 47 pseudobonds, 14936 residues, 108 models selected > select :133 406 atoms, 406 bonds, 56 residues, 56 models selected > select clear > hide #!63 models > show #!63 models > hide #!63 models > show #!63 models > hide #23-27,29,43-44,46-47,57-60#!2-22,28,30-42,45,48-50,56,61-62 target m > hide #!78-80 target m > show #!78 models > hide #!78 models > show #!78 models > hide #!78 models > show #!79 models > hide #!79 models > show #!79 models > hide #!79 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!79 models > hide #!79 models > hide #!81 models > show #!78 models > hide #!78 models > show #!78 models > hide #!78 models > show #!78 models > hide #!78 models > select #63/A:115 6 atoms, 5 bonds, 1 residue, 1 model selected > select up 48 atoms, 47 bonds, 7 residues, 1 model selected > select up 914 atoms, 930 bonds, 117 residues, 1 model selected > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66622 atoms, 67975 bonds, 47 pseudobonds, 8092 residues, 108 models selected > select #63 1366 atoms, 1257 bonds, 1 pseudobond, 286 residues, 2 models selected > select intersect > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 1177 atoms, 1202 bonds, 1 pseudobond, 150 residues, 2 models selected > surface (#!63 & sel) > select clear > show #!81 models > hide #!81 models > hide #!63 models > show #!81 models > show #!63 models > hide #!81 models > show #!81 models > hide #63.2 models > hide #63.1 models > show #!80 models > hide #!80 models > show #!80 models > show #63.2 models > hide #!63 models > show #!63 models > show #!79 models > show #!78 models > hide #!63 models > show #!63 models > hide #!63 models > show #!63 models > show #!62 models > hide #!62 models > show #!62 models > hide #!62 models > show #!61 models > hide #!61 models > show #!61 models > hide #!61 models > close #61-62 > open 6o33 6o34 6o33 title: Crystal Structure Analysis of PIN1 [more info...] Chain information for 6o33 #1 --- Chain | Description | UniProt A | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 B | peptide | Non-standard residues in 6o33 #1 --- ACE — acetyl group NH2 — amino group SO4 — sulfate ion YCP — (2S)-piperidine-2-carboxylic acid 6o34 title: Crystal Structure Analysis of PIN1 [more info...] Chain information for 6o34 #51 --- Chain | Description | UniProt A | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | PIN1_HUMAN 1-163 B | peptide | Non-standard residues in 6o34 #51 --- 2PE — nonaethylene glycol ACE — acetyl group CIR — citrulline GOL — glycerol (glycerin; propane-1,2,3-triol) MEA — N-methylphenylalanine NH2 — amino group SO4 — sulfate ion YCP — (2S)-piperidine-2-carboxylic acid > show #63.1 models > hide #63.1 models > hide #!63 models > show #!63 models > copy m51 m52 Unknown command: copy m51 m52 > copy #51 #52 Unknown command: copy #51 #52 > copy :WAT Unknown command: copy :WAT > select :WAT Nothing selected > select :HOH 7142 atoms, 418 bonds, 6724 residues, 61 models selected > hide (#!1,51,63,78-81 & sel) target ab > select :SO4 110 atoms, 88 bonds, 22 residues, 17 models selected > hide (#!1,51,63 & sel) target a > select clear > hide #!80 models > show #!80 models > hide #!80 models > hide #!79 models > hide #!78 models > hide #!63 models > show #!63 models > hide #!81 models > hide #!51 models > hide #!1 models > select #63/A:201@C2 1 atom, 1 residue, 1 model selected > select up 2 atoms, 1 bond, 1 residue, 1 model selected > select up 16 atoms, 16 bonds, 1 residue, 1 model selected > style sel ball Changed 16 atom styles > select #63/A:135@OE2 1 atom, 1 residue, 1 model selected > select clear > select #63/A:114@CB 1 atom, 1 residue, 1 model selected > select up 6 atoms, 5 bonds, 1 residue, 2 models selected > select up 48 atoms, 47 bonds, 7 residues, 2 models selected > select up 914 atoms, 930 bonds, 117 residues, 2 models selected > color (#!63 & sel) dark gray > ui tool show "Color Actions" > select #63/A:201@C2 1 atom, 1 residue, 1 model selected > select up 16 atoms, 16 bonds, 1 residue, 1 model selected > select up 914 atoms, 930 bonds, 117 residues, 1 model selected > select up 965 atoms, 983 bonds, 123 residues, 2 models selected > color #63 #b8938aff > color #63 #b88189ff > select #63/A:201@C2 1 atom, 1 residue, 1 model selected > select up 16 atoms, 16 bonds, 1 residue, 1 model selected > select up 914 atoms, 930 bonds, 117 residues, 1 model selected > select up 965 atoms, 983 bonds, 123 residues, 2 models selected > select down 914 atoms, 930 bonds, 117 residues, 2 models selected > select down 16 atoms, 16 bonds, 1 residue, 2 models selected > select down 1 atom, 1 residue, 1 model selected > select up 16 atoms, 16 bonds, 1 residue, 1 model selected > select up 914 atoms, 930 bonds, 117 residues, 1 model selected > ui tool show "Color Actions" > color sel byhetero target acpf > ui tool show "Color Actions" > select clear > show #!78 models > show #!79 models > show #!80 models > show #!81 models > hide #!78 models > hide #!79 models > hide #!80 models > hide #63.2 models > hide #!63 models > select #81/A:201@C29 1 atom, 1 residue, 1 model selected > select up 30 atoms, 34 bonds, 1 residue, 1 model selected > ui tool show H-Bonds > hbonds sel color #39ff3b interModel false distSlop 0.6 angleSlop 45.0 > twoColors true reveal true log true Finding intramodel H-bonds Constraints relaxed by 0.6 angstroms and 45 degrees Models used: 81 7f0m 1 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): 7f0m #81/A GLN 131 N 7f0m #81/A 0BF 201 O14 no hydrogen 2.580 N/A 1 hydrogen bonds found 1 strict hydrogen bonds found > style sel ball Changed 30 atom styles > select clear > select up 2 atoms, 1 bond, 1 residue, 1 model selected > select up 30 atoms, 34 bonds, 1 residue, 1 model selected > ui tool show H-Bonds > hbonds sel color #39ff3b interModel false distSlop 0.8 angleSlop 60.0 > twoColors true reveal true log true Finding intramodel H-bonds Constraints relaxed by 0.8 angstroms and 60 degrees Models used: 81 7f0m 2 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): 7f0m #81/A ARG 68 NH1 7f0m #81/A 0BF 201 O13 no hydrogen 3.264 N/A 7f0m #81/A GLN 131 N 7f0m #81/A 0BF 201 O14 no hydrogen 2.580 N/A 2 hydrogen bonds found 1 strict hydrogen bonds found > show #!80 models > hide #!80 models > show #!80 models > show #!79 models > show #!78 models > hide #!78 models > hide #!79 models > hide #!80 models > hbonds sel color #39ff3b interModel false distSlop 0.8 angleSlop 60.0 reveal > true log true Finding intramodel H-bonds Constraints relaxed by 0.8 angstroms and 60 degrees Models used: 81 7f0m 2 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): 7f0m #81/A ARG 68 NH1 7f0m #81/A 0BF 201 O13 no hydrogen 3.264 N/A 7f0m #81/A GLN 131 N 7f0m #81/A 0BF 201 O14 no hydrogen 2.580 N/A 2 hydrogen bonds found > show #!63 models > select #63/A:201@C5 1 atom, 1 residue, 1 model selected > select up 16 atoms, 16 bonds, 1 residue, 1 model selected > hbonds sel color #39ff3b dashes 6 interModel false distSlop 0.8 angleSlop > 60.0 reveal true retainCurrent true log true Finding intramodel H-bonds Constraints relaxed by 0.8 angstroms and 60 degrees Models used: 63 6vaj 2 H-bonds H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): 6vaj #63/A GLN 131 N 6vaj #63/A QT7 201 O3 no hydrogen 2.914 N/A 6vaj #63/A HIS 157 NE2 6vaj #63/A QT7 201 O2 no hydrogen 3.198 N/A 2 hydrogen bonds found > hide #!81 models > show #63.2 models > select clear > hide #63.2 models > select clear > ui tool show "Color Actions" > set bgColor white > show #63.2 models > show #!81 models > hide #63.3 models > show #63.3 models > hide #63.2 models > show #63.2 models > hide #!63 models > select #81/A:129 9 atoms, 8 bonds, 1 residue, 1 model selected > select up 38 atoms, 37 bonds, 5 residues, 1 model selected > select up 921 atoms, 941 bonds, 114 residues, 1 model selected > select up 968 atoms, 990 bonds, 119 residues, 1 model selected > select up 1195 atoms, 1225 bonds, 147 residues, 1 model selected > select up 1336 atoms, 1246 bonds, 267 residues, 1 model selected > select up 75883 atoms, 70510 bonds, 14951 residues, 61 models selected > select up 75883 atoms, 70510 bonds, 3 pseudobonds, 14951 residues, 64 models selected > select up 75883 atoms, 70510 bonds, 3 pseudobonds, 14951 residues, 64 models selected > select up 75883 atoms, 70510 bonds, 3 pseudobonds, 14951 residues, 64 models selected > select up 75883 atoms, 70510 bonds, 3 pseudobonds, 14951 residues, 64 models selected > select down 75883 atoms, 70510 bonds, 14951 residues, 62 models selected > select down 1336 atoms, 1246 bonds, 267 residues, 2 models selected > select down 1195 atoms, 1225 bonds, 147 residues, 1 model selected > select down 968 atoms, 990 bonds, 119 residues, 1 model selected > select down 921 atoms, 941 bonds, 114 residues, 1 model selected > select clear > show #!80 models > hide #!81 models > select #80/A:109 9 atoms, 8 bonds, 1 residue, 1 model selected > select up 79 atoms, 80 bonds, 10 residues, 1 model selected > select up 917 atoms, 936 bonds, 114 residues, 1 model selected > select down 79 atoms, 80 bonds, 10 residues, 1 model selected > select up 917 atoms, 936 bonds, 114 residues, 1 model selected > select down 79 atoms, 80 bonds, 10 residues, 1 model selected > select up 917 atoms, 936 bonds, 114 residues, 1 model selected > select down 79 atoms, 80 bonds, 10 residues, 1 model selected > select up 917 atoms, 936 bonds, 114 residues, 1 model selected > select down 79 atoms, 80 bonds, 10 residues, 1 model selected > select down 9 atoms, 8 bonds, 1 residue, 1 model selected > select down 9 atoms, 8 bonds, 1 residue, 1 model selected > select down 9 atoms, 8 bonds, 1 residue, 1 model selected > select down 9 atoms, 8 bonds, 1 residue, 1 model selected > select down 9 atoms, 8 bonds, 1 residue, 1 model selected > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs > select #78,79,80,81 5299 atoms, 4949 bonds, 6 pseudobonds, 1055 residues, 9 models selected > select intersect > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 4668 atoms, 4768 bonds, 4 pseudobonds, 586 residues, 8 models selected > surface (#!80 & sel) > show #!79 models > show #!78 models > hide #!78 models > hide #!79 models > hide #!80 models > show #!78 models > hide #!78 models > show #!78 models > show #!80 models > hide #!80 models > show #!80 models > show #!79 models > hide #!80 models > hide #!79 models > show #!79 models > hide #!78 models > show #!78 models > hide #!79 models > hide #!78 models > show #63.1 models > show #!78 models > hide #!78 models > show #!79 models > hide #!79 models > show #!80 models > hide #!80 models > show #!80 models > select clear > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #!80 models > show #!80 models > hide #63.2 models > show #63.2 models > hide #63.2 models > show #63.2 models > hide #63.2 models > show #63.2 models > hide #63.2 models > show #63.2 models > hide #63.2 models > hide #!80 models > show #!80 models > hide #80.2 models > select #80/A:201@C20 1 atom, 1 residue, 1 model selected > select up 26 atoms, 29 bonds, 1 residue, 1 model selected > style sel ball Changed 26 atom styles > select clear > show #!78 models > hide #!63 models > hide #63.3 models > hide #!78 models > hide #!80 models > show #!81 models > hide #!81 models > show #!80 models > hide #!80 models > show #!81 models > select #81/A:115 6 atoms, 5 bonds, 1 residue, 1 model selected > select up 48 atoms, 47 bonds, 7 residues, 1 model selected > select up 921 atoms, 941 bonds, 114 residues, 1 model selected > select subtract #81/A:201@C27 920 atoms, 939 bonds, 114 residues, 1 model selected > select up 921 atoms, 941 bonds, 114 residues, 1 model selected > select down 920 atoms, 939 bonds, 114 residues, 1 model selected > select down 920 atoms, 939 bonds, 114 residues, 1 model selected > show #!80 models > show #!79 models > hide #!81 models > hide #!80 models > select #79/A:125 11 atoms, 11 bonds, 1 residue, 1 model selected > select up 36 atoms, 36 bonds, 5 residues, 1 model selected > select up 916 atoms, 934 bonds, 115 residues, 1 model selected > select clear > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > surface (#!79 & sel) > select subtract #63.2 65494 atoms, 66823 bonds, 46 pseudobonds, 7946 residues, 109 models selected > show #!80 models > hide #!79 models > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > surface (#!80 & sel) > show #!81 models > hide #!80 models > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > surface (#!81 & sel) > show #!80 models > show #!79 models > show #!78 models > hide #!79 models > hide #!80 models > hide #!81 models > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > surface (#!78 & sel) > show #!79 models > show #!80 models > show #!81 models > hide #!79 models > show #!79 models > hide #!79 models > hide #!80 models > hide #!81 models > hide #!78 models > show #!79 models > show #!63 models > show #63.2 models > hide #79.2 models > hide #!63 models > select #79/A:201@C11 1 atom, 1 residue, 1 model selected > select up 21 atoms, 23 bonds, 1 residue, 1 model selected > style sel ball Changed 21 atom styles > show #!80 models > hide #80.2 models > show #79.2 models > show #80.2 models > hide #80.2 models > show #80.2 models > hide #80.2 models > show #80.2 models > hide #80.2 models > show #80.2 models > hide #79.2 models > show #79.2 models > hide #79.2 models > show #79.2 models > hide #79.2 models > show #79.2 models > hide #79.2 models > show #79.2 models > hide #63.2 models > show #63.2 models > hide #!63 models > show #!63 models > hide #63.1 models > show #63.1 models > hide #63.2 models > hide #80.2 models > hide #79.2 models > select clear > select #80/A:69 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > show #!81 models > hide #81.3 models > select #79/A:68 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > hide #81.1 models > show #81.1 models > hide #!81 models > show #!81 models > hide #!81 models > show #!81 models > hide #!81 models > show #!81 models > hide #!63 models > hide #!79 models > hide #!80 models > hide #!81 models > show #!81 models > select #81/A:69 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > hide #!81 models > show #!80 models > select #80/A:69 11 atoms, 10 bonds, 1 residue, 1 model selected > select #80/A:68 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > show #!78 models > hide #78.1 models > hide #78.2 models > hide #!80 models > show #!63 models > hide #!63 models > show #!63 models > select #63/A:68 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > hide #!78 models > show #!78 models > hide #79.1 models > show #79.1 models > hide #79.1 models > hide #!79 models > hide #!63 models > select #78/A:69 11 atoms, 10 bonds, 1 residue, 1 model selected > select add #78/A:68 22 atoms, 20 bonds, 2 residues, 2 models selected > show sel atoms > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs > show #!63 models > hide #63.1 models > show #80.2 models > select clear > show #!1 models > select #1/B:5@O 1 atom, 1 residue, 1 model selected > select up 11 atoms, 10 bonds, 1 residue, 1 model selected > select up 47 atoms, 49 bonds, 6 residues, 1 model selected > style sel ball Changed 47 atom styles > hide #!63 models > hide #!80 models > hide #!78 models > hide #80.1 models > show #80.1 models > hide #!80 models > hide #81.1 models > select #1/A:68 11 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > select up 159 atoms, 162 bonds, 18 residues, 1 model selected > select up 908 atoms, 923 bonds, 116 residues, 1 model selected > select down 159 atoms, 162 bonds, 18 residues, 1 model selected > select down 11 atoms, 10 bonds, 1 residue, 1 model selected > select down 11 atoms, 10 bonds, 1 residue, 1 model selected > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > select #1/B 49 atoms, 49 bonds, 8 residues, 1 model selected > select ~sel 75834 atoms, 70461 bonds, 51 pseudobonds, 14943 residues, 110 models selected > surface hidePatches (#!1 & sel) > surface (#!1 & sel) > hide #1.1 models > hide #1.2 models > show #1.1 models > show #1.2 models > hide #!1 models > show #!51 models > select #51/B:6@N 1 atom, 1 residue, 1 model selected > select up 49 atoms, 52 bonds, 6 residues, 1 model selected > style sel ball Changed 49 atom styles > show #!1 models > hide #!1 models > select > ::name="ALA"::name="ARG"::name="ASN"::name="ASP"::name="CSD"::name="CSO"::name="CYS"::name="GLN"::name="GLU"::name="GLY"::name="HIS"::name="ILE"::name="LEU"::name="LYS"::name="MET"::name="NAL"::name="PHE"::name="PRO"::name="SER"::name="THR"::name="TRP"::name="TYR"::name="VAL" 66671 atoms, 68025 bonds, 47 pseudobonds, 8096 residues, 108 models selected > surface (#!51 & sel) > select clear > close #1.2 > close #51.3 > show #!1 models > hide #!51 models > select #1/A 1307 atoms, 1217 bonds, 1 pseudobond, 265 residues, 2 models selected > surface (#!1 & sel) > select clear > hide #1.2 models > show #!51 models > hide #51.1 models > hide #51.2 models > select #51/A:68 5 atoms, 4 bonds, 1 residue, 1 model selected > select add #51/A:69 10 atoms, 8 bonds, 2 residues, 2 models selected > show sel atoms > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > show #1.2 models > show #!50 models > show #51.2 models > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > hide #!50 models > show #!50 models > hide #!50 models > show #51.1 models > hide #51.1 models > hide #51.2 models > show #51.2 models > hide #51.2 models > show #!63 models > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > hide #!51 models > hide #!1 models > show #!1 models > show #!51 models > hide #80.1 models > hide #80.2 models > hide #81.2 models > show #!78 models > hide #!78 models > show #!78 models > hide #!63 models > show #78.2 models > select up 2 atoms, 1 bond, 1 residue, 1 model selected > select up 20 atoms, 22 bonds, 1 residue, 1 model selected > style sel ball Changed 20 atom styles > hide #!1 models > select clear > hide #!51 models > show #!63 models > show #!80 models > show #!81 models > show #81.2 models > show #81.3 models > hide #81.3 models > show #81.3 models > hide #81.3 models > show #81.3 models > hide #!81 models > show #!81 models > hide #!80 models > hide #!78 models > hide #81.3 models > show #63.3 models > select #81/A:157 10 atoms, 10 bonds, 1 residue, 1 model selected > show sel atoms > save /Users/adaina/Documents/PROJETS/Quantro/PIN1/CoX-chimeraX-chainA- > only.cxs QPainter::begin: Paint device returned engine == 0, type: 3 ===== Log before crash end ===== Log: Startup Messages --- warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR bundle with that from NMRSTAR bundle UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX OpenGL version: 4.1 Metal - 88 OpenGL renderer: Apple M1 Pro OpenGL vendor: Apple Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro18,1 Model Number: Z14V00074SM/A Chip: Unknown Total Number of Cores: 10 (8 performance and 2 efficiency) Memory: 32 GB System Firmware Version: 10151.81.1 OS Loader Version: 10151.81.1 Software: System Software Overview: System Version: macOS 14.3.1 (23D60) Kernel Version: Darwin 23.3.0 Time since boot: 55 days, 13 hours, 5 minutes Graphics/Displays: Apple M1 Pro: Chipset Model: Apple M1 Pro Type: GPU Bus: Built-In Total Number of Cores: 16 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-in Liquid Retina XDR Display Resolution: 3456 x 2234 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal DELL U2719DC: Resolution: 2560 x 1440 (QHD/WQHD - Wide Quad High Definition) UI Looks like: 2560 x 1440 @ 60.00Hz Mirror: Off Online: Yes 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-Clipper: 0.21.0 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-ISOLDE: 1.6.0 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: 2022.9.26 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 , 18 months ago
Component: | Unassigned → Window Toolkit |
---|---|
Description: | modified (diff) |
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Crash in QTabBar:paintEvent(). QPainter::begin: Paint device returned engine == 0, type: 3 |
comment:2 by , 18 months ago
Resolution: | → can't reproduce |
---|---|
Status: | assigned → closed |
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Probable Qt bug.
Crashed in Qt with more than 80 models open, two displays, ChimeraX 1.6, Mac.