Opened 3 months ago

Closed 3 months ago

#18377 closed defect (duplicate)

Crash on Mac waking from sleep

Reported by: chimerax-bug-report@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Window Toolkit Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-15.5-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX.
Fatal Python error: Segmentation fault

Thread 0x0000000311b07000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 579 in _handle_results
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000310afb000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 531 in _handle_tasks
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030faef000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py", line 415 in select
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py", line 930 in wait
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 502 in _wait_for_updates
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 522 in _handle_workers
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030eae3000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030dad7000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030cacb000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030babf000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000030aab3000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000309aa7000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000308a9b000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000307a8f000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000306a83000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000305a77000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Current thread 0x0000000202835f00 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 330 in event_loop
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1054 in init
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1217 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, openmm._openmm, openmm.app.internal.compiled, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.pdb._pdbio, PIL._imagingmath, psutil._psutil_osx, psutil._psutil_posix, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize (total: 61)


{"app_name":"ChimeraX","timestamp":"2025-08-04 17:16:43.00 -0500","app_version":"1.9.0","slice_uuid":"17982d98-65bc-3327-8526-577ec996453c","build_version":"1.9.0.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":0,"is_first_party":0,"bug_type":"309","os_version":"macOS 15.5 (24F74)","roots_installed":0,"name":"ChimeraX","incident_id":"8914444F-425A-4F1C-ACF1-66A17F71B8E7"}
{
  "uptime" : 2800000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 502,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro18,1",
  "coalitionID" : 230746,
  "osVersion" : {
    "train" : "macOS 15.5",
    "build" : "24F74",
    "releaseType" : "User"
  },
  "captureTime" : "2025-08-04 17:16:33.1501 -0500",
  "codeSigningMonitor" : 1,
  "incident" : "8914444F-425A-4F1C-ACF1-66A17F71B8E7",
  "pid" : 31401,
  "translated" : false,
  "cpuType" : "ARM-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2025-08-04 12:11:43.7016 -0500",
  "procStartAbsTime" : 69007303192843,
  "procExitAbsTime" : 69445837293097,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.9.0","CFBundleVersion":"1.9.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"ACF28FB2-42FE-58C2-8DE5-A9B04FE55DAD","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "5CD00815-A492-345C-021D-25B424AB78F6",
  "appleIntelligenceStatus" : {"state":"unavailable","reasons":["siriAssetIsNotReady","assetIsNotReady","notOptedIn"]},
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "codeSigningAuxiliaryInfo" : 0,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRm+D\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkZDg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "bootSessionUUID" : "D0F15393-EBAE-4F26-B3FA-2E72EE20C036",
  "wakeTime" : 44,
  "sleepWakeUUID" : "994483FA-C1E5-4D4C-A40D-85A84D02EB54",
  "sip" : "enabled",
  "vmRegionInfo" : "0x169 is not in any region.  Bytes before following region: 4337450647\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      102884000-102888000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000169","rawCodes":[1,361],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000169"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":31401},
  "vmregioninfo" : "0x169 is not in any region.  Bytes before following region: 4337450647\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      __TEXT                      102884000-102888000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "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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  "vmSummary" : "ReadOnly portion of Libraries: Total=1.9G resident=0K(0%) swapped_out_or_unallocated=1.9G(100%)\nWritable regions: Total=6.4G written=276.0M(4%) resident=3486K(0%) swapped_out=272.6M(4%) unallocated=6.1G(96%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework              2176K       17 \nActivity Tracing                   256K        1 \nCG image                           784K       46 \nColorSync                          656K       33 \nCoreAnimation                     1904K      119 \nCoreGraphics                        64K        4 \nCoreServices                       624K        2 \nCoreUI image data                 2208K       30 \nFoundation                          32K        2 \nKernel Alloc Once                   32K        1 \nMALLOC                             5.2G      135 \nMALLOC guard page                  288K       18 \nMach message                        64K        3 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                        848K       53 \nStack                            409.8M       54 \nStack Guard                       56.0M        1 \nVM_ALLOCATE                      585.6M      524 \nVM_ALLOCATE (reserved)           192.0M        2         reserved VM address space (unallocated)\n__AUTH                            5521K      697 \n__AUTH_CONST                      77.4M      944 \n__CTF                               824        1 \n__DATA                            35.0M     1120 \n__DATA_CONST                      37.5M     1138 \n__DATA_DIRTY                      2778K      342 \n__FONT_DATA                        2352        1 \n__GLSLBUILTINS                    5174K        1 \n__INFO_FILTER                         8        1 \n__LINKEDIT                       652.5M      188 \n__OBJC_RO                         61.4M        1 \n__OBJC_RW                         2396K        1 \n__TEXT                             1.3G     1139 \n__TEXT (graphics)                 24.2M       19 \n__TPRO_CONST                       128K        2 \ndyld private memory               6688K       54 \nmapped file                      308.4M       81 \npage table in kernel              3486K        1 \nshared memory                     3264K       31 \n===========                     =======  ======= \nTOTAL                              8.9G     6811 \nTOTAL, minus reserved VM space     8.7G     6811 \n",
  "legacyInfo" : {
  "threadTriggered" : {
    "name" : "CrBrowserMain",
    "queue" : "com.apple.main-thread"
  }
},
  "logWritingSignature" : "58ec713c972cc7d0716b25746b9a1604bf5a170e",
  "trialInfo" : {
  "rollouts" : [
    {
      "rolloutId" : "64c17a9925d75a7281053d4c",
      "factorPackIds" : {
        "SIRI_AUDIO_DISABLE_MEDIA_ENTITY_SYNC" : "64d29746ad29a465b3bbeace"
      },
      "deploymentId" : 240000002
    },
    {
      "rolloutId" : "6410af69ed1e1e7ab93ed169",
      "factorPackIds" : {

      },
      "deploymentId" : 240000011
    }
  ],
  "experiments" : [

  ]
}
}
===== Log before crash start =====
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araCTP/D_1000283555_model_P1_araCTP.cif"

Summary of feedback from opening /Users/rnkirchdoerf/Library/CloudStorage/Box-
Box/Wisconsin/2025 araNTP
structure/Chimera/araCTP/D_1000283555_model_P1_araCTP.cif  
---  
warnings | Atom H3 is not in the residue template for CAR /P:31  
Atom H5' is not in the residue template for HF4 /A:1004  
Atom H5' is not in the residue template for HF4 /A:1006  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
D_1000283555_model_P1_araCTP.cif title:  
SARS-CoV-2 core polymerase complex inhibited by araCTP [more info...]  
  
Chain information for D_1000283555_model_P1_araCTP.cif #1  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase nsp12 | R1AB_SARS2 2-929  
B | Non-structural protein 8 | R1AB_SARS2 6-193  
C | Non-structural protein 7 | R1A_SARS2 1-73  
D | Non-structural protein 8 | R1AB_SARS2 6-193  
P | Primer RNA |   
T | Template RNA |   
  
Non-standard residues in D_1000283555_model_P1_araCTP.cif #1  
---  
HF4 —
4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-
D-arabinofuranosyl}pyrimidin-2(1H)-one (Cytarabine-TRIPHOSPHATE)  
MG — magnesium ion  
ZN — zinc ion  
  

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araCTP/cryosparc_P77_J29_005_volume_map_sharp.mrc"

Opened cryosparc_P77_J29_005_volume_map_sharp.mrc as #2, grid size
256,256,256, pixel 1.06, shown at level 0.111, step 1, values float32  

> rename #2 araCTP_map

> rename #1 araCTP_model

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/D_1000296630_model_P1_araUTP.cif"

Summary of feedback from opening /Users/rnkirchdoerf/Library/CloudStorage/Box-
Box/Wisconsin/2025 araNTP
structure/Chimera/araUTP/D_1000296630_model_P1_araUTP.cif  
---  
warnings | Atom C1' is not in the residue template for UAT /P:30  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
D_1000296630_model_P1_araUTP.cif title:  
SARS-CoV-2 core polymerase complex inhibited by araUTP [more info...]  
  
Chain information for D_1000296630_model_P1_araUTP.cif #3  
---  
Chain | Description  
A | Non-structural protein 12  
B | Non-structural protein 8  
C | Non-structural protein 7  
D | Non-structural protein 8  
P | Primer RNA  
T | Template RNA  
  
Non-standard residues in D_1000296630_model_P1_araUTP.cif #3  
---  
MG — magnesium ion  
UAT — 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide  
ZN — zinc ion  
  

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/SARS2_araUTP_10.mrc"

Opened SARS2_araUTP_10.mrc as #4, grid size 256,256,256, pixel 1.06, shown at
level 0.151, step 1, values float32  

> hide #1 models

> hide #!2 models

> volume #4 level 0.2972

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/D_1000296636_model_P1_araUMP_UTP.cif"

Summary of feedback from opening /Users/rnkirchdoerf/Library/CloudStorage/Box-
Box/Wisconsin/2025 araNTP
structure/Chimera/araUTP/D_1000296636_model_P1_araUMP_UTP.cif  
---  
warnings | Atom C1' is not in the residue template for UAT /P:30  
Atom H5' is not in the residue template for UTP /P:31  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
D_1000296636_model_P1_araUMP_UTP.cif title:  
SARS-CoV-2 core polymerase complex bound to RNA, araUMP, and UTP [more
info...]  
  
Chain information for D_1000296636_model_P1_araUMP_UTP.cif #5  
---  
Chain | Description  
A | Non-structural protein 12  
B | Non-structural protein 8  
C | Non-structural protein 7  
D | Non-structural protein 8  
P | Primer RNA  
T | Template RNA  
  
Non-standard residues in D_1000296636_model_P1_araUMP_UTP.cif #5  
---  
MG — magnesium ion  
UAT — 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide  
UTP — uridine 5'-triphosphate  
ZN — zinc ion  
  

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/SARS2 araUTP - UTP chase map.mrc"

Opened SARS2 araUTP - UTP chase map.mrc as #6, grid size 256,256,256, pixel
1.06, shown at level 0.122, step 1, values float32  

> hide #3 models

> hide #!4 models

> volume #6 level 0.2433

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/D_1000296137_model_P1_2XUTP.cif"

Summary of feedback from opening /Users/rnkirchdoerf/Library/CloudStorage/Box-
Box/Wisconsin/2025 araNTP
structure/Chimera/araUTP/D_1000296137_model_P1_2XUTP.cif  
---  
warning | Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
D_1000296137_model_P1_2XUTP.cif title:  
SARS-CoV-2 core polymerase complex with two UTP incorporation [more info...]  
  
Chain information for D_1000296137_model_P1_2XUTP.cif #7  
---  
Chain | Description  
A | Non-structural protein 12  
B | Non-structural protein 8  
C | Non-structural protein 7  
D | Non-structural protein 8  
P | Primer RNA  
T | Template RNA  
  
Non-standard residues in D_1000296137_model_P1_2XUTP.cif #7  
---  
ZN — zinc ion  
  

> hide #5 models

> hide #!6 models

> open "/Users/rnkirchdoerf/Library/CloudStorage/Box-Box/Wisconsin/2025 araNTP
> structure/Chimera/araUTP/SARS2_2xUTP_map.mrc"

Opened SARS2_2xUTP_map.mrc as #8, grid size 256,256,256, pixel 1.06, shown at
level 0.157, step 1, values float32  

> volume #8 level 0.2794

> rename #3 araUTP_model

> rename #4 araUTP_map

> rename #5 araUMP_UTP_model

> rename #6 araUMP_UTP_map

> rename #7 2XUMP_model

> rename #8 2XUMP_map

> view name overall

> matchmaker #3,5,7 to #1

Computing secondary structure  
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 araCTP_model, chain A (#1) with araUTP_model, chain A (#3),
sequence alignment score = 4756.6  
RMSD between 925 pruned atom pairs is 0.366 angstroms; (across all 928 pairs:
0.386)  
  
Matchmaker araCTP_model, chain A (#1) with araUMP_UTP_model, chain A (#5),
sequence alignment score = 4768.6  
RMSD between 926 pruned atom pairs is 0.444 angstroms; (across all 928 pairs:
0.460)  
  
Matchmaker araCTP_model, chain A (#1) with 2XUMP_model, chain A (#7), sequence
alignment score = 4768.6  
RMSD between 927 pruned atom pairs is 0.363 angstroms; (across all 928 pairs:
0.378)  
  

> hide #7 models

> hide #!8 models

> show #!2 models

> show #3 models

> hide #!2 models

> show #!4 models

> view position #4 sameAsModels #3

> hide #3 models

> hide #!4 models

> show #5 models

> show #!6 models

> view position #6 sameAsModels #5

> view position #8 sameAsModels #7

> hide #5 models

> hide #!6 models

> show #7 models

> show #!8 models

> cartoon

> ~show

> style stick

Changed 93979 atom styles  

> view ligand

No displayed objects specified.  

> color #2,4,6,8 grey

> transparency 50

> view /P:31

> ~ribbon nucleic

> show nucleic

> hide H

> hide #!8 models

> select #7/P:31@C2'

1 atom, 1 residue, 1 model selected  

> select up

31 atoms, 32 bonds, 1 residue, 1 model selected  

> show sel : hide H

> color /A goldenrod

> color /B forest green

> color /D forest green

> color /C dodger blue

> color /P light pink

> color /T purple

> color /T medium blue

> ui tool show "Color Actions"

> color /T medium purple

> set bgColor white

> view sel

> show #!8 models

> volume zone #2 nearAtoms sel range 5

> unzone #2

Unknown command: unzone #2  

> unzone

Unknown command: unzone  

> volume unzone #2

> volume zone #8 nearAtoms sel range 5

> volume zone #8 nearAtoms #7 range 5

> volume zone #8 nearAtoms #7 range 4

> volume #8 level 0.4624

> volume zone #8 nearAtoms #7 range 3

> transparency 70

> lighting soft

> lighting full

> volume #!8 style mesh

> show #!6 models

> hide #!8 models

> hide #!6 models

> show #!8 models

> volume #8 level 0.5234

> color byhetero

> hide #!8 models

> hide #7 models

> show #!6 models

> show #5 models

> volume #!6 style mesh

> volume #6 level 0.5596

> volume zone #6 nearAtoms #5 range 3

> select #5/P:29@O3'

1 atom, 1 residue, 1 model selected  

> select add #5/P:30@P

2 atoms, 2 residues, 1 model selected  

> ui tool show "Build Structure"

> bond sel

Created 1 bond  

> ~ribbon nucleic

> ui tool show "Side View"

> hide #5 models

> hide #!6 models

> show #3 models

> show #!4 models

> volume #!4 style mesh

> volume #4 level 0.645

> select #4

2 models selected  

> hide #!4 models

> select #3/P:29@O3'

1 atom, 1 residue, 1 model selected  

> select add #3/P:30@P

2 atoms, 2 residues, 1 model selected  

> ui tool show "Build Structure"

> bond sel

Created 1 bond  

> ~ribbon nucleic

> hide #3 models

> show #1 models

> show #!2 models

> volume #!2 style mesh

> volume #2 level 0.2799

> select #1/A:1006@C2'

1 atom, 1 residue, 1 model selected  

> select up

41 atoms, 42 bonds, 1 residue, 1 model selected  

> select up

14777 atoms, 14964 bonds, 934 residues, 1 model selected  

> select down

41 atoms, 42 bonds, 1 residue, 1 model selected  

> color sel light pink

> color byhetero

> show #3 models

> show #5 models

> show #7 models

> ui tool show "Side View"

> camera walleye

> hide #7 models

> hide #5 models

> hide #3 models

> camera stereo

Could not switch graphics mode. Graphics driver did not create OpenGL context.  

> camera mono

> volume zone #2 nearAtoms #1 range 3

> select #1/P:31@O2'

1 atom, 1 residue, 1 model selected  

> select up

34 atoms, 35 bonds, 1 residue, 1 model selected  

> select add #1/A:1006@C2'

35 atoms, 35 bonds, 2 residues, 1 model selected  

> select up

75 atoms, 77 bonds, 2 residues, 1 model selected  

> show sel : hide H

> hide #1 models

> hide #!2 models

> show #3 models

> show #!4 models

> hide #3 models

> hide #!4 models

> show #5 models

> show #!6 models

> hide #5 models

> hide #!6 models

> show #7 models

> show #!8 models

> show #5 models

> hide #5 models

> save /Users/rnkirchdoerf/Desktop/2XUMP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 6

> save /Users/rnkirchdoerf/Desktop/2XUMP_density1_6.png width 546 height 626
> supersample 3

> turn y -12

> save /Users/rnkirchdoerf/Desktop/2XUMP_density1_-6.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 12

> save /Users/rnkirchdoerf/Desktop/2XUMP_density1_6.png width 800 height 917
> supersample 3 transparentBackground true

> save /Users/rnkirchdoerf/Desktop/araNTP.cxs

> volume #2,4,6,8 subdivisionLevels 2

> volume #2,4,6,8 subdivisionLevels 3

> show #!2 models

> hide #!8 models

> hide #7 models

> show #1 models

> volume #2,4,6,8 subdivisionLevels 2

> volume #2,4,6,8 subdivideSurface true

> volume #2,4,6,8 subdivisionLevels 1

> hide #1 models

> hide #!2 models

> show #5 models

> show #!6 models

> graphics silhouettes true

> graphics silhouettes false

> volume #!6 style surface

> lighting soft

> lighting full

> lighting simple

> lighting full

> hide #5 models

> hide #!6 models

> show #!2 models

> volume #!2 style surface

> hide #!2 models

> show #!4 models

> volume #!4 style surface

> hide #!4 models

> show #!6 models

> show #!8 models

> hide #!6 models

> volume #!8 style surface

> hide #!8 models

> show #1 models

> show #!2 models

> select clear

> save /Users/rnkirchdoerf/Desktop/araCTP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y -6

> save /Users/rnkirchdoerf/Desktop/araCTP_density2.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 6

> view name active

> transparency 50

> save /Users/rnkirchdoerf/Desktop/araCTP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y -6

> save /Users/rnkirchdoerf/Desktop/araCTP_density2.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 6

> hide #1 models

> hide #!2 models

> show #3 models

> show #!4 models

> save /Users/rnkirchdoerf/Desktop/araUTP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y -6

> save /Users/rnkirchdoerf/Desktop/araUTP_density2.png width 800 height 917
> supersample 3 transparentBackground true

> hide #3 models

> hide #!4 models

> show #5 models

> show #!6 models

> turn y 6

> save /Users/rnkirchdoerf/Desktop/araUTPUTP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y -6

> save /Users/rnkirchdoerf/Desktop/araUTPUTP_density2.png width 546 height 626
> supersample 3

> save /Users/rnkirchdoerf/Desktop/araUTPUTP_density2.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 6

> hide #5 models

> hide #!6 models

> show #7 models

> show #!8 models

> save /Users/rnkirchdoerf/Desktop/2XUTP_density1.png width 800 height 917
> supersample 3 transparentBackground true

> turn y -6

> save /Users/rnkirchdoerf/Desktop/2XUTP_density2.png width 800 height 917
> supersample 3 transparentBackground true

> turn y 6

> view active

> hide #!8 models

> show #1 models

> show #3 models

> show #5 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #7 models

> show #7 models

> open 6yyt

6yyt title:  
Structure of replicating SARS-CoV-2 polymerase [more info...]  
  
Chain information for 6yyt #9  
---  
Chain | Description | UniProt  
A | nsp12 | R1AB_SARS2 1-932  
B D | nsp8 | R1AB_SARS2 1-198  
C | nsp7 | R1AB_SARS2 1-83  
P Q T U | RNA product |   
  
Non-standard residues in 6yyt #9  
---  
ZN — zinc ion  
  

> matchmaker #9 to #1

Computing secondary structure  
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 araCTP_model, chain A (#1) with 6yyt, chain A (#9), sequence
alignment score = 4625.8  
RMSD between 841 pruned atom pairs is 0.709 angstroms; (across all 853 pairs:
0.857)  
  

> style stick

Changed 105354 atom styles  

> cartoon #9

> ~ribbon nucleic

> color /A goldenrod

> color /B forest green

> color /D forest green

> color /C dodger blue

> color /P light pink

> color /T medium purple

> hide H

> hide pseudobonds

> color byhetero

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #7 models

> hide #5 models

> hide #3 models

> hide #1 models

> close #9

> open 7cyq

7cyq title:  
Cryo-EM structure of an extended SARS-CoV-2 replication and transcription
complex reveals an intermediate state in cap synthesis [more info...]  
  
Chain information for 7cyq #9  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
E F | Helicase | R1AB_SARS2 1-601  
G | Non-structural protein 9 | R1AB_SARS2 1-113  
I | Primer |   
J | Template |   
  
Non-standard residues in 7cyq #9  
---  
GDP — guanosine-5'-diphosphate  
MG — magnesium ion  
ZN — zinc ion  
  
16 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> matchmaker #9 to #1

Computing secondary structure  
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 araCTP_model, chain A (#1) with 7cyq, chain A (#9), sequence
alignment score = 4690.6  
RMSD between 912 pruned atom pairs is 0.658 angstroms; (across all 926 pairs:
0.743)  
  

> style stick

Changed 115820 atom styles  

> close #9

> open 7bzf

Summary of feedback from opening 7bzf fetched from pdb  
---  
note | Fetching compressed mmCIF 7bzf from http://files.rcsb.org/download/7bzf.cif  
  
7bzf title:  
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
[more info...]  
  
Chain information for 7bzf #9  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
F | RNA (31-MER) |   
G | RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*CP*AP*CP*A)-3') |   
  
Non-standard residues in 7bzf #9  
---  
ZN — zinc ion  
  

> matchmaker #9 to #1

Computing secondary structure  
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 araCTP_model, chain A (#1) with 7bzf, chain A (#9), sequence
alignment score = 4405.6  
RMSD between 766 pruned atom pairs is 0.996 angstroms; (across all 913 pairs:
1.537)  
  

> style stick

Changed 103911 atom styles  

> color /A goldenrod

> color /B forest green

> color /D forest green

> color /C dodger blue

> color #9/G light pink

> color #9/F medium purple

> hide pseudobonds

> ribbon #9

> ~ribbon nucleic

> show #5 models

> hide #!9 models

> select #5/P:30@C3'

1 atom, 1 residue, 1 model selected  

> select add #5/P:31@O3B

2 atoms, 2 residues, 1 model selected  

> hide protein

> select up

71 atoms, 73 bonds, 2 residues, 1 model selected  

> show sel nearAtom 5

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> show sel : hide H

> color byhetero

> show #!9 models

> hide #5 models

> show #3 models

> hide #3 models

> show #1 models

> hide #!9 models

> color ligand light pink

> color byhetero

> show #!9 models

> hide #1 models

> show #1 models

> hide #!9 models

> show #!9 models

> hide #1 models

> show #3 models

> hide #3 models

> show #5 models

> show #1 models

> hide #1 models

> hide #!9 models

> hide #5 models

> show #1 models

> show #!9 models

> show sel : hide H

> show #5 models

> ui tool show "Side View"

> ~ribbon /A:830-940

> view sel

> hide #5 models

> hide #!9 models

> show #5 models

> ~ribbon /A:800-940

> ~show /A:800-940

> hide #1 models

> hide #5 models

> show #1 models

> show #!9 models

> hide #1 models

> show #3 models

> hide #3 models

> show #5 models

> hide #5 models

> show #5 models

> hide #5 models

> select clear

> hide #!9 models

> show #1 models

> show #!9 models

> hide #!9 models

> save /Users/rnkirchdoerf/Desktop/araCTPmodel.png width 800 height 758
> supersample 3 transparentBackground true

> hide #1 models

> show #3 models

> save /Users/rnkirchdoerf/Desktop/araUTPmodel.png width 800 height 758
> supersample 3

> hide #3 models

> show #5 models

> save /Users/rnkirchdoerf/Desktop/araUMP_UTPmodel.png width 800 height 758
> supersample 3 transparentBackground true

> hide #5 models

> show #!9 models

> save /Users/rnkirchdoerf/Desktop/7bzfmodel.png width 800 height 758
> supersample 3 transparentBackground true

> show #1 models

> select ~sel & ##selected

Nothing selected  

> ~show /A:1-700

> show /A:615-620

> hide H

> ~show /A:1-700

> show /A:618-619

> ~show /A:1-700

> show /A:617-618

> ~show /A:1-700

> show /A:618

> show /A:620

> hide H

> hide /A:798

> show #5 models

> hide #5 models

> hide #!9 models

> save /Users/rnkirchdoerf/Desktop/araCTPmodel.png width 800 height 758
> supersample 3 transparentBackground true

> hide #1 models

> show #3 models

> save /Users/rnkirchdoerf/Desktop/araUTPmodel.png width 800 height 758
> supersample 3 transparentBackground true

> hide #3 models

> show #5 models

> save /Users/rnkirchdoerf/Desktop/araUMP_UTPmodel.png width 800 height 758
> supersample 3 transparentBackground true

> hide #5 models

> show #!9 models

> save /Users/rnkirchdoerf/Desktop/7bzfmodel.png width 800 height 758
> supersample 3 transparentBackground true

> save /Users/rnkirchdoerf/Desktop/araNTP_models.cxs

> open 7c2k

7c2k title:  
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex [more
info...]  
  
Chain information for 7c2k #10  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
F | RNA (29-MER) |   
G | RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*CP*AP*CP*AP*GP*G*(F86)P*G)-3') |   
  
Non-standard residues in 7c2k #10  
---  
F86 —
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl
dihydrogen phosphate (Remdesivir, bound form)  
ZN — zinc ion  
  

> matchmaker #10 to #1/A

Computing secondary structure  
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 araCTP_model, chain A (#1) with 7c2k, chain A (#10), sequence
alignment score = 4718.8  
RMSD between 914 pruned atom pairs is 0.676 angstroms; (across all 926 pairs:
0.783)  
  

> style stick

Changed 114603 atom styles  

> close #10

> open 7dte

Summary of feedback from opening 7dte fetched from pdb  
---  
note | Fetching compressed mmCIF 7dte from http://files.rcsb.org/download/7dte.cif  
  
7dte title:  
SARS-CoV-2 RdRP catalytic complex with T33-1 RNA [more info...]  
  
Chain information for 7dte #10  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
F | RNA (57-MER) |   
G | RNA (33-MER) |   
  
Non-standard residues in 7dte #10  
---  
ZN — zinc ion  
  

> matchmaker #10 to #1/A

Computing secondary structure  
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 araCTP_model, chain A (#1) with 7dte, chain A (#10), sequence
alignment score = 4711  
RMSD between 914 pruned atom pairs is 0.644 angstroms; (across all 928 pairs:
0.767)  
  

> style stick

Changed 116041 atom styles  

> hide #!9 models

> view active

> color /A goldenrod

> color /B forest green

> color /C dodger blue

> color /D forest green

> ribbon protein

> ~show

> show nucleic

> show ligand

> ~ribbon /A:800-94-

> hide pseudobonds

> open 7uoe

7uoe title:  
SARS-CoV-2 replication-transcription complex bound to CTP, in a pre-catalytic
state [more info...]  
  
Chain information for 7uoe #11  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
P | Product RNA (35-MER) |   
T | Template RNA (55-MER) |   
  
Non-standard residues in 7uoe #11  
---  
CTP — cytidine-5'-triphosphate  
L2B — 3'-deoxyuridine-5'-monophosphate
([(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-
oxolan-2-yl]methyl dihydrogen phosphate)  
MG — magnesium ion  
ZN — zinc ion  
  

> open 7uo9

7uo9 title:  
SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic
state [more info...]  
  
Chain information for 7uo9 #12  
---  
Chain | Description | UniProt  
A | RNA-directed RNA polymerase | R1AB_SARS2 1-932  
B D | Non-structural protein 8 | R1AB_SARS2 1-198  
C | Non-structural protein 7 | R1AB_SARS2 1-83  
P | Product RNA (35-MER) |   
T | Template RNA (55-MER) |   
  
Non-standard residues in 7uo9 #12  
---  
MG — magnesium ion  
UTP — uridine 5'-triphosphate  
ZN — zinc ion  
  

> matchmaker #11,12 to #1

Computing secondary structure  
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 araCTP_model, chain A (#1) with 7uoe, chain A (#11), sequence
alignment score = 4746.4  
RMSD between 918 pruned atom pairs is 0.966 angstroms; (across all 928 pairs:
1.011)  
  
Matchmaker araCTP_model, chain A (#1) with 7uo9, chain A (#12), sequence
alignment score = 4593.4  
RMSD between 910 pruned atom pairs is 0.929 angstroms; (across all 926 pairs:
1.009)  
  

> style stick

Changed 152609 atom styles  

> hide solvent

> hide H

> ribbon protein

> ~show

> show nucleic

> show ligand

> color /A goldenrod

> color /B forest green

> color /C dodger blue

> color /D forest green

> color nucleic light pink

> hide #!12 models

> hide #!11 models

> color #10/F medium purple

> hide #!10 models

> show #!11 models

> show #!12 models

> hide #!11 models

> color /T medium purple

> color byhetero

> select #12/P:35@C3'

1 atom, 1 residue, 1 model selected  

> select add #12/A:1004@PA

2 atoms, 2 residues, 1 model selected  

> select up

50 atoms, 53 bonds, 2 residues, 1 model selected  

> show /A:758-761

> hide H

> show /A:755-761

> show /A:618

> show /A:620

> show /A:623

> show /A:620-23

> show /A:620-623

> hide H

> show #5 models

> hide #!12 models

> show #!9 models

> hide #!9 models

> show #!10 models

> save /Users/rnkirchdoerf/Desktop/araNTP_models2.cxs

> hide #!10 models

> show #!10 models

> hide #5 models

> show #5 models

> hide #5 models

> show #1 models

> show #3 models

> hide #3 models

> show #5 models

> color ligand light pink

> color byhetero

> save /Users/rnkirchdoerf/Desktop/araNTP_models2.cxs

> hide #1 models

> lighting shadows false

> hide #!10 models

> show #!11 models

> hide #5 models

> show #5 models

> hide #!11 models

> show #!12 models

> hide #!12 models

> show #!10 models

> hide #!10 models

> select #5/P:30@O3'

1 atom, 1 residue, 1 model selected  

> select add #5/A:760@OD1

2 atoms, 2 residues, 1 model selected  

> ui tool show Distances

> distance #5/P:30@O3' #5/A:760@OD1

Distance between araUMP_UTP_model #5/P UAT 30 O3' and /A ASP 760 OD1: 2.560Å  

> distance style color black

> hide #13.1 models

> show #13.1 models

> hide #5 models

> show #!10 models

> select #10/G:4@O3'

1 atom, 1 residue, 1 model selected  

> select add #10/A:760@OD2

2 atoms, 2 residues, 1 model selected  

> distance #10/G:4@O3' #10/A:760@OD2

Distance between 7dte #10/G A 4 O3' and /A ASP 760 OD2: 2.757Å  

> hide #!10 models

> show #!10 models

> distance style symbol false

> distance style symbol true

> hide #13.1 models

> hide #!13 models

> show #!13 models

> show #5 models

> distance #10/G:4@O3' #10/A:760@OD2

Distance already exists; modify distance properties with 'distance style'  

> show #13.1 models

> hide #13.1 models

> hide #!13 models

> show #!13 models

> select clear

Exactly two atoms must be selected!  

> distance style decimalPlaces 2

> show #13.1 models

> distance style decimalPlaces 1

> distance style decimalPlaces 2

> distance style decimalPlaces 1

> distance style radius 0.2

> distance style radius 0.1

> distance style symbol false

> distance style symbol true

> distance style color #73fcd6

> distance style color black

> hide #!10 models

> show #!10 models

> hide #13.1 models

> hide #!13 models

> hide #!10 models

> show #!13 models

> select #5/P:30@C3'

1 atom, 1 residue, 1 model selected  

> select add #5/P:30@O3'

2 atoms, 1 residue, 1 model selected  

> select add #5/A:760@OD1

3 atoms, 2 residues, 1 model selected  

> ui tool show Distances

> show #13.1 models

> hide #5 models

> show #!10 models

> select #10/G:4@C3'

1 atom, 1 residue, 1 model selected  

> select add #10/G:4@O3'

2 atoms, 1 residue, 1 model selected  
Either three or four atoms must be selected!  

> select clear

> select #10/G:4@C3'

1 atom, 1 residue, 1 model selected  

> select add #10/G:4@O3'

2 atoms, 1 residue, 1 model selected  

> select add #10/A:760@OD2

3 atoms, 2 residues, 1 model selected  

> show #5 models

> hide #!10 models

> show #!10 models

> hide #5 models

> select clear

> ~ribbon /A:800-940

> show #5 models

> hide #5 models

> hide #13.1 models

> hide #!13 models

> show #5 models

> show #!11 models

> hide #!11 models

> show #!11 models

> hide #!11 models

> hide #!10 models

> save /Users/rnkirchdoerf/Desktop/araUMP_UTPmodel2.png width 800 height 758
> supersample 3 transparentBackground true

> hide #5 models

> show #!10 models

> save /Users/rnkirchdoerf/Desktop/7dte_model2.png width 800 height 758
> supersample 3 transparentBackground true

> hide #!10 models

> show #!12 models

> hide pseudobonds

> save /Users/rnkirchdoerf/Desktop/7uo9_model2.png width 800 height 758
> supersample 3 transparentBackground true

> hide #!12 models

> show #!11 models

> show #1 models

> hide #!11 models

> save /Users/rnkirchdoerf/Desktop/araCTP_model2.png width 800 height 758
> supersample 3 transparentBackground true

> hide #1 models

> show #!11 models

> save /Users/rnkirchdoerf/Desktop/7uoe_model2.png width 800 height 758
> supersample 3 transparentBackground true

> hide #!11 models

> show #!12 models


===== Log before crash end =====

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,1
      Model Number: Z14Z00105LL/A
      Chip: Apple M1 Pro
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 32 GB
      System Firmware Version: 11881.121.1
      OS Loader Version: 11881.121.1

Software:

    System Software Overview:

      System Version: macOS 15.5 (24F74)
      Kernel Version: Darwin 24.5.0
      Time since boot: 68 days, 20 hours, 50 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:
        MZ279:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 75.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported


Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    autocommand: 2.2.2
    babel: 2.16.0
    backports.tarfile: 1.2.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.8
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-Clipper: 0.24.0
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    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: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ISOLDE: 1.9
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    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: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.18
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.6
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.18.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    importlib_metadata: 8.0.0
    importlib_resources: 6.4.0
    inflect: 7.3.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jaraco.context: 5.3.0
    jaraco.functools: 4.0.1
    jaraco.text: 3.12.1
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    more-itertools: 10.3.0
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.2
    numpy: 1.26.4
    openvr: 1.26.701
    ordered-set: 4.1.0
    packaging: 23.2
    packaging: 24.1
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    platformdirs: 4.2.2
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    sniffio: 1.3.1
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4.2
    traitlets: 5.14.3
    typeguard: 4.3.0
    typing_extensions: 4.12.2
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13
    zipp: 3.19.2

Change History (2)

comment:1 by Eric Pettersen, 3 months ago

Component: UnassignedWindow Toolkit
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionCrash on Mac waking from sleep

comment:2 by Eric Pettersen, 3 months ago

Resolution: duplicate
Status: assignedclosed
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