Opened 4 months ago
Closed 4 months ago
#17991 closed defect (duplicate)
Crash on Mac waking from sleep
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-15.3.2-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 0x0000000367a6b000 (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 0x0000000366a5f000 (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 0x0000000365a53000 (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 0x0000000364a47000 (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 0x0000000363a3b000 (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 0x0000000362a2f000 (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 0x0000000361a23000 (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 0x0000000360a17000 (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 0x000000035fa0b000 (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 0x000000035e9ff000 (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 0x000000035d9f3000 (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 0x000000035c9e7000 (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 0x000000035b9db000 (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 0x000000035a9cf000 (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 0x00000003599c3000 (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 0x00000003589b7000 (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 0x00000003579ab000 (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 0x000000035699f000 (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 0x0000000355993000 (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 0x0000000354987000 (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 0x000000035397b000 (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 0x000000035296f000 (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 0x0000000351963000 (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 0x0000000201220840 (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, chimerax.pdb_lib._load_libs, 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.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, psutil._psutil_osx, psutil._psutil_posix, PIL._imagingmath, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, imagecodecs._shared, imagecodecs._imcd, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets (total: 59) {"app_name":"ChimeraX","timestamp":"2025-06-16 11:23:12.00 +0200","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 15.3.2 (24D81)","roots_installed":0,"name":"ChimeraX","incident_id":"748DB26A-5515-4C5A-AACD-4A1A91EB68B5"} { "uptime" : 7200000, "procRole" : "Foreground", "version" : 2, "userID" : 501, "deployVersion" : 210, "modelCode" : "Mac13,2", "coalitionID" : 1407321, "osVersion" : { "train" : "macOS 15.3.2", "build" : "24D81", "releaseType" : "User" }, "captureTime" : "2025-06-16 11:23:04.5441 +0200", "codeSigningMonitor" : 1, "incident" : "748DB26A-5515-4C5A-AACD-4A1A91EB68B5", "pid" : 56449, "translated" : false, "cpuType" : "ARM-64", "roots_installed" : 0, "bug_type" : "309", "procLaunch" : "2025-06-04 09:00:08.1700 +0200", "procStartAbsTime" : 149275144493727, "procExitAbsTime" : 174364185049320, "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":"F5F53219-9BE6-5E1E-B198-B93A19242616","thirdParty":true}, "parentProc" : "launchd", "parentPid" : 1, "coalitionName" : "edu.ucsf.cgl.ChimeraX", "crashReporterKey" : "88AFF950-A49B-5485-38D1-6898FBC7C39E", "codeSigningID" : "edu.ucsf.cgl.ChimeraX", "codeSigningTeamID" : "LWV8X224YF", "codeSigningFlags" : 570491649, "codeSigningValidationCategory" : 6, "codeSigningTrustLevel" : 4294967295, "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRcuD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkWfg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="}, "bootSessionUUID" : "3E62848E-AF7C-44E3-8B06-9A018F573DF4", "sip" : "enabled", "vmRegionInfo" : "0x39f3d577e268 is not in any region. 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\nshared memory 3952K 25 \n=========== ======= ======= \nTOTAL 66.4G 7513 \nTOTAL, minus reserved VM space 65.9G 7513 \n", "legacyInfo" : { "threadTriggered" : { "name" : "CrBrowserMain", "queue" : "com.apple.main-thread" } }, "logWritingSignature" : "e622ba94d4bf3861961c3e363ba37bbc093b3833", "trialInfo" : { "rollouts" : [ { "rolloutId" : "63f9578e238e7b23a1f3030a", "factorPackIds" : { }, "deploymentId" : 240000005 }, { "rolloutId" : "644114de41e7236e6177f9bd", "factorPackIds" : { }, "deploymentId" : 240000013 } ], "experiments" : [ ] } } ===== Log before crash start ===== 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 > open /Users/arne/Downloads/cryosparc_P46_J1908_002_volume_map_sharp.mrc Opened cryosparc_P46_J1908_002_volume_map_sharp.mrc as #1, grid size 128,128,128, pixel 2.72, shown at level 0.129, step 1, values float32 > open /Users/arne/Downloads/cryosparc_P46_J1909_002_volume_map_sharp.mrc Opened cryosparc_P46_J1909_002_volume_map_sharp.mrc as #2, grid size 128,128,128, pixel 2.72, shown at level 0.121, step 1, values float32 > hide #!2 models > volume #1 level 0.1403 > volume #2 level 0.3308 > open /Users/arne/Downloads/cryosparc_P46_J1911_003_volume_map.mrc Opened cryosparc_P46_J1911_003_volume_map.mrc as #3, grid size 128,128,128, pixel 2.72, shown at level 0.142, step 1, values float32 > volume #3 level 0.1331 > open /Users/arne/Downloads/cryosparc_P46_J1903_004_volume_map(1).mrc Opened cryosparc_P46_J1903_004_volume_map(1).mrc as #4, grid size 128,128,128, pixel 2.72, shown at level 0.145, step 1, values float32 > volume #4 level 0.3 > volume #4 level 0.05037 > volume #4 level 0.1476 > volume #4 level 0.4156 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_closed_ADP_poststate.pdb Chain information for ABCA2_closed_ADP_poststate.pdb #5 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_open_prestate.pdb Chain information for ABCA2_open_prestate.pdb #6 --- Chain | Description A | No description available > hide #!4 models > show #!4 models > hide #!6 models > select add #5 14885 atoms, 15255 bonds, 6 pseudobonds, 1888 residues, 2 models selected > ui mousemode right zoom > ui mousemode right "translate selected models" > view matrix models #5,1,0,0,-1.4415,0,1,0,4.3892,0,0,1,6.5551 > ui mousemode right "rotate selected models" > view matrix models > #5,0.99887,0.032522,-0.034633,-1.8656,-0.023148,0.96975,0.24301,-20.935,0.041488,-0.24194,0.9694,44.877 > ui mousemode right "translate selected models" > view matrix models > #5,0.99887,0.032522,-0.034633,1.0407,-0.023148,0.96975,0.24301,-23.685,0.041488,-0.24194,0.9694,27.348 > view matrix models > #5,0.99887,0.032522,-0.034633,1.4008,-0.023148,0.96975,0.24301,-24.361,0.041488,-0.24194,0.9694,27.193 > fitmap #5 inMap #4 Fit molecule ABCA2_closed_ADP_poststate.pdb (#5) to map cryosparc_P46_J1903_004_volume_map(1).mrc (#4) using 14885 atoms average map value = 0.2049, steps = 248 shifted from previous position = 6.6 rotated from previous position = 43.9 degrees atoms outside contour = 13202, contour level = 0.41559 Position of ABCA2_closed_ADP_poststate.pdb (#5) relative to cryosparc_P46_J1903_004_volume_map(1).mrc (#4) coordinates: Matrix rotation and translation 0.70532098 0.68785618 0.17139486 -95.00816708 -0.70817717 0.67288304 0.21380720 149.91980726 0.03173991 -0.27218063 0.96172256 37.16106367 Axis -0.32731116 0.09405713 -0.94022373 Axis point 124.21053383 186.45273976 0.00000000 Rotation angle (degrees) 47.93576868 Shift along axis 10.25854662 > ui mousemode right "rotate selected models" > view matrix models > #5,-0.87428,-0.46167,-0.14995,426.45,0.48307,-0.79718,-0.36213,272.13,0.047645,-0.38904,0.91999,60.24 > view matrix models > #5,-0.86722,-0.44644,-0.2205,432.64,0.49098,-0.84041,-0.22945,259.23,-0.082871,-0.30724,0.94802,65.375 > view matrix models > #5,-0.95134,-0.30221,-0.060246,400.09,0.30815,-0.93292,-0.18629,301.23,9.2413e-05,-0.19579,0.98065,27.023 > show #!6 models > hide #!5 models > select add #6 28174 atoms, 28895 bonds, 11 pseudobonds, 3552 residues, 4 models selected > select subtract #5 13289 atoms, 13640 bonds, 5 pseudobonds, 1664 residues, 2 models selected > view matrix models > #6,0.99857,0.023089,-0.04832,3.1613,-0.024443,0.99932,-0.027629,8.3615,0.047649,0.02877,0.99845,-13.131 > view matrix models > #6,0.99652,0.028117,-0.078512,6.9793,-0.025712,0.99917,0.031485,0.11466,0.079332,-0.029356,0.99642,-8.2247 > ui mousemode right "translate selected models" > view matrix models > #6,0.99652,0.028117,-0.078512,8.153,-0.025712,0.99917,0.031485,0.2573,0.079332,-0.029356,0.99642,-22.857 > fitmap #6 inMap #4 Fit molecule ABCA2_open_prestate.pdb (#6) to map cryosparc_P46_J1903_004_volume_map(1).mrc (#4) using 13289 atoms average map value = 0.1989, steps = 188 shifted from previous position = 6 rotated from previous position = 12.4 degrees atoms outside contour = 11925, contour level = 0.41559 Position of ABCA2_open_prestate.pdb (#6) relative to cryosparc_P46_J1903_004_volume_map(1).mrc (#4) coordinates: Matrix rotation and translation 0.98161937 -0.18423687 -0.04980143 38.85784205 0.18622597 0.98174245 0.03875111 -36.78401828 0.04175280 -0.04731316 0.99800710 -10.31652139 Axis -0.22000466 -0.23403852 0.94700788 Axis point 227.04665785 176.66587317 0.00000000 Rotation angle (degrees) 11.27957136 Shift along axis -9.70985602 > ui mousemode right "rotate selected models" > view matrix models > #6,0.9815,-0.18591,-0.04577,38.592,0.18692,0.9822,0.018724,-34.107,0.041474,-0.026933,0.99878,-13.938 > view matrix models > #6,-0.98016,-0.14057,-0.13974,387.06,0.15124,-0.98609,-0.068877,328.49,-0.12811,-0.088644,0.98779,28.062 > view matrix models > #6,-0.97375,-0.012907,-0.22725,376.22,0.028572,-0.99742,-0.06578,351.47,-0.22581,-0.070546,0.97161,44.303 > view matrix models > #6,-0.97154,-0.015962,-0.23634,377.68,0.021574,-0.99954,-0.021179,346.65,-0.2359,-0.025675,0.97144,38.254 > view matrix models > #6,-0.95857,0.26436,-0.10608,307.73,-0.26487,-0.96424,-0.009562,388.89,-0.10481,0.01893,0.99431,4.2631 > fitmap #6 inMap #4 Fit molecule ABCA2_open_prestate.pdb (#6) to map cryosparc_P46_J1903_004_volume_map(1).mrc (#4) using 13289 atoms average map value = 0.2084, steps = 156 shifted from previous position = 1.2 rotated from previous position = 21.4 degrees atoms outside contour = 11833, contour level = 0.41559 Position of ABCA2_open_prestate.pdb (#6) relative to cryosparc_P46_J1903_004_volume_map(1).mrc (#4) coordinates: Matrix rotation and translation -0.84760685 0.51184035 0.13993594 209.18232450 -0.50977925 -0.85867346 0.05296230 402.86590300 0.14726752 -0.02644523 0.98874310 -31.35609494 Axis -0.07749138 -0.00715467 -0.99696735 Axis point 161.51505433 172.49718692 0.00000000 Rotation angle (degrees) 149.17860200 Shift along axis 12.16880420 > flip #4 Unknown command: flip #4 > vollume flip #4 Unknown command: vollume flip #4 > volume flip #4 Opened cryosparc_P46_J1903_004_volume_map(1).mrc z flip as #7, grid size 128,128,128, pixel 2.72, shown at step 1, values float32 > select add #7 13289 atoms, 13640 bonds, 5 pseudobonds, 1664 residues, 4 models selected > select subtract #6 2 models selected > view matrix models > #7,-0.93482,-0.35505,0.0071622,396.42,-0.35477,0.93282,-0.063121,84.176,0.01573,-0.061548,-0.99798,352.97 > view matrix models > #7,-0.9321,-0.36202,-0.011536,400.37,-0.3622,0.93165,0.028993,69.757,0.00025105,0.031203,-0.99951,340.01 > view matrix models > #7,-0.97216,-0.23423,0.0067131,382.25,-0.23375,0.97137,0.042493,38.252,-0.016474,0.039741,-0.99907,341.38 > view matrix models > #7,-0.86909,-0.48957,-0.07078,421.53,-0.49207,0.84101,0.22487,74.077,-0.050565,0.23026,-0.97181,309.9 > view matrix models > #7,-0.87454,-0.48364,-0.03557,415.38,-0.48495,0.87232,0.062261,95.554,0.00091711,0.071699,-0.99743,332.58 > view matrix models > #7,-0.93525,-0.35268,0.030342,392.08,-0.34908,0.93312,0.086241,57.332,-0.058728,0.070065,-0.99581,342.97 > fitmap #6 inMap #7 Fit molecule ABCA2_open_prestate.pdb (#6) to map cryosparc_P46_J1903_004_volume_map(1).mrc z flip (#7) using 13289 atoms average map value = 0.2067, steps = 416 shifted from previous position = 5.77 rotated from previous position = 15.5 degrees atoms outside contour = 11699, contour level = 0.41559 Position of ABCA2_open_prestate.pdb (#6) relative to cryosparc_P46_J1903_004_volume_map(1).mrc z flip (#7) coordinates: Matrix rotation and translation 0.99964445 0.01444877 -0.02241011 0.06810605 0.01495583 -0.99963212 0.02262635 340.79641731 -0.02207494 -0.02295346 -0.99949279 366.51656038 Axis -0.99991110 -0.00735276 0.01112368 Axis point 0.00000000 172.48672506 181.31631893 Rotation angle (degrees) 178.69400541 Shift along axis 1.50311845 > show #!5 models > select add #5 14885 atoms, 15255 bonds, 6 pseudobonds, 1888 residues, 4 models selected > select subtract #7 14885 atoms, 15255 bonds, 6 pseudobonds, 1888 residues, 2 models selected > hide #!6 models > view matrix models > #5,0.97437,0.16339,-0.1546,-6.6658,-0.16401,0.98642,0.0088265,29.288,0.15394,0.016756,0.98794,-37.523 > view matrix models > #5,-0.95614,-0.22946,0.18204,354.04,0.13745,-0.90033,-0.41293,358.12,0.25865,-0.3698,0.89238,23.553 > view matrix models > #5,-0.98846,-0.11829,0.094634,353.21,0.065937,-0.89839,-0.43423,373.47,0.13638,-0.42298,0.89582,53.774 > view matrix models > #5,-0.99313,-0.11604,0.014816,365.02,0.11102,-0.97483,-0.19332,344.26,0.036877,-0.19035,0.98102,19.534 > view matrix models > #5,-0.82672,-0.55512,-0.091537,425.68,0.56054,-0.79874,-0.21863,238.27,0.048251,-0.23206,0.97151,25.997 > show #!6 models > hide #!5 models > select subtract #5 Nothing selected > select add #6 13289 atoms, 13640 bonds, 5 pseudobonds, 1664 residues, 2 models selected > view matrix models > #6,0.96583,-0.25894,0.011568,49.828,0.25584,0.94524,-0.20265,-5.0342,0.04154,0.19869,0.97918,-51.996 > view matrix models > #6,0.96734,-0.25028,-0.040062,55.47,0.24891,0.96785,-0.036228,-31.686,0.047841,0.025073,0.99854,-25.556 > fitmap #6 inMap #7 Fit molecule ABCA2_open_prestate.pdb (#6) to map cryosparc_P46_J1903_004_volume_map(1).mrc z flip (#7) using 13289 atoms average map value = 0.2547, steps = 84 shifted from previous position = 4.38 rotated from previous position = 7.63 degrees atoms outside contour = 10832, contour level = 0.41559 Position of ABCA2_open_prestate.pdb (#6) relative to cryosparc_P46_J1903_004_volume_map(1).mrc z flip (#7) coordinates: Matrix rotation and translation -0.98266833 -0.14715924 0.11272582 350.65766323 -0.13799476 0.98675898 0.08523004 11.29328582 -0.12377560 0.06819728 -0.98996401 366.36190003 Axis -0.07178001 0.99667248 0.03862129 Axis point 186.67695075 0.00000000 172.48893790 Rotation angle (degrees) 173.18606280 Shift along axis 0.23486555 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_alpha_fold.pdb ABCA2_alpha_fold.pdb title: Alphafold monomer V2.0 prediction for atp-binding cassette sub-family A member 2 (Q9BZC7) [more info...] Chain information for ABCA2_alpha_fold.pdb #8 --- Chain | Description | UniProt A | atp-binding cassette sub-family A member 2 | ABCA2_HUMAN 1-2435 > mmaker #8 to #6 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 ABCA2_open_prestate.pdb, chain A (#6) with ABCA2_alpha_fold.pdb, chain A (#8), sequence alignment score = 6850.5 RMSD between 543 pruned atom pairs is 1.099 angstroms; (across all 1641 pairs: 10.641) > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_prestate_AFassembly_KP.pdb Chain information for ABCA2_prestate_AFassembly_KP.pdb #9 --- Chain | Description A | No description available > mmaker #9 to #6 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 ABCA2_open_prestate.pdb, chain A (#6) with ABCA2_prestate_AFassembly_KP.pdb, chain A (#9), sequence alignment score = 7580.6 RMSD between 1565 pruned atom pairs is 0.357 angstroms; (across all 1615 pairs: 3.615) > select subtract #6 Nothing selected > hide #!6 models > hide #8 models > volume #7 level 0.3788 > volume #7 level 0.2133 > volume #7 style image > volume #7 style mesh > volume #7 change image level -0.0176,0 level 0.1449,0.8 level 1.095,1 > volume #7 level 0.2212 > volume #7 style surface > open /Users/arne/Downloads/cryosparc_P46_J1903_004_volume_map(1).mrc Opened cryosparc_P46_J1903_004_volume_map(1).mrc as #10, grid size 128,128,128, pixel 2.72, shown at level 0.145, step 1, values float32 > hide #!10 models > close #10 > open /Users/arne/Downloads/cryosparc_P46_J1903_004_volume_map_sharp.mrc Opened cryosparc_P46_J1903_004_volume_map_sharp.mrc as #10, grid size 128,128,128, pixel 2.72, shown at level 0.151, step 1, values float32 > volume flip #10 Opened cryosparc_P46_J1903_004_volume_map_sharp.mrc z flip as #11, grid size 128,128,128, pixel 2.72, shown at step 1, values float32 Must specify one map, got 0 > fitmap #10 inMap #7 Fit map cryosparc_P46_J1903_004_volume_map_sharp.mrc in map cryosparc_P46_J1903_004_volume_map(1).mrc z flip using 20902 points correlation = 0.7441, correlation about mean = 0.339, overlap = 2067 steps = 144, shift = 1.07, angle = 6.01 degrees Position of cryosparc_P46_J1903_004_volume_map_sharp.mrc (#10) relative to cryosparc_P46_J1903_004_volume_map(1).mrc z flip (#7) coordinates: Matrix rotation and translation -0.95545175 -0.29479192 -0.01448036 394.44809914 -0.29477908 0.95556053 -0.00306128 59.68053446 0.01473930 0.00134360 -0.99989047 342.62981534 Axis 0.14906628 -0.98882711 0.00043430 Axis point 200.44253666 0.00000000 172.80157717 Rotation angle (degrees) 179.15342930 Shift along axis -0.06601758 > volume #11 level 0.3806 > volume #11 level 0.4006 > volume #11 level 0.3506 > open "/Users/arne/Documents/OLD_discs/Arne diss/maps/nph-deoxy-001.ccp4" Opened nph-deoxy-001.ccp4 as #12, grid size 394,309,251, pixel 1.05,1.05,1.05, shown at level 0.0386, step 2, values float32 > hide #!9 models > hide #!11 models > view #12 clip false > volume #12 level 0.006378 > open "/Users/arne/Documents/OLD_discs/Arne diss/maps/nph-oxy-001.ccp4" Opened nph-oxy-001.ccp4 as #13, grid size 362,346,241, pixel 1.05,1.05,1.05, shown at level 0.0342, step 2, values float32 > volume #13 level 0.0126 > fitmap #13 inMap #12 Fit map nph-oxy-001.ccp4 in map nph-deoxy-001.ccp4 using 204354 points correlation = 0.6589, correlation about mean = 0.2246, overlap = 87.51 steps = 112, shift = 13.8, angle = 0.0256 degrees Position of nph-oxy-001.ccp4 (#13) relative to nph-deoxy-001.ccp4 (#12) coordinates: Matrix rotation and translation 0.99999990 0.00044460 -0.00001127 -7.35544284 -0.00044460 0.99999990 0.00004036 4.20598279 0.00001129 -0.00004035 1.00000000 10.84344314 Axis -0.09036917 -0.02526644 -0.99558778 Axis point 8874.29706947 18626.91246256 0.00000000 Rotation angle (degrees) 0.02558634 Shift along axis -10.23716442 > open "/Users/arne/Library/Containers/com.apple.mail/Data/Library/Mail > Downloads/1BECC3D2-879F-405C-85CF-351AB05F3D0C/postprocess_masked_inward_C2.mrc" Opened postprocess_masked_inward_C2.mrc as #14, grid size 140,140,140, pixel 1.12, shown at level 0.0516, step 1, values float32 > view #14 clip false > open "/Users/arne/Library/Containers/com.apple.mail/Data/Library/Mail > Downloads/A8443609-060F-4919-80D4-A005B86C1444/postprocess_masked_outward_C2.mrc" Opened postprocess_masked_outward_C2.mrc as #15, grid size 140,140,140, pixel 1.12, shown at level 0.052, step 1, values float32 > hide #!14 models > hide #!15 models > show #!12 models > view #12 clip false > show #!13 models > hide #!12 models > hide #!13 models > show #!12 models > lighting soft > graphics silhouettes true > graphics silhouettes false > ui tool show "Side View" > show #!13 models > morph #12,13 Require at least 2 structures for morph > volume #!12-13 projectionMode rays > volume #!12-13 projectionMode 3d > volume #!12-13 projectionMode 2d-xyz > ui mousemode right "play coordinates" > hide #!13 models > hide #!12 models > open /Users/arne/Documents/OLD_discs/arne-diss-vortrag/ueberkreuz- > pfeil0011.tif Opened multi-channel map ueberkreuz-pfeil0011.tif as #16, 3 channels, grid size 640,480,1, pixel 1, shown at step 1, values uint8 > close #16 > open /Users/arne/Downloads/hSorCS1-mono-mask-3p4A-cryosparc-P372-J354-map- > sharp.mrc Opened hSorCS1-mono-mask-3p4A-cryosparc-P372-J354-map-sharp.mrc as #16, grid size 320,320,320, pixel 1.08, shown at level 0.0477, step 2, values float32 > volume #16 level 0.08021 > volume #16 step 1 > volume #16 level 0.1344 > view #16 clip false > surface dust #16 size 10.8 > volume #16 level 0.342 > open > /Users/arne/Downloads/hSorCS1-dimer-4p5A-cryosparc_P372_J140_004_volume_map_sharp.mrc Opened hSorCS1-dimer-4p5A-cryosparc_P372_J140_004_volume_map_sharp.mrc as #17, grid size 320,320,320, pixel 1.08, shown at level 0.0424, step 2, values float32 > volume #17 step 1 > volume #17 level 0.1055 > hide #!16 models > show #!16 models > hide #!17 models > volume #16 color #d6d6d6 > volume #16 color white > show #!17 models > hide #!16 models > color #17 #76d6ffff models > color #17 #73fdffff models > color #17 #00fdffff models > color #17 #0096ffff models > color #17 #0433ffff models > color #17 #0096ffff models > color #17 #d4fb79ff models > color #17 #fffc79ff models > color #17 #fffb00ff models > color #17 #ffd479ff models > show #!16 models > hide #!17 models > hide #!16 models > show #!14 models > show #!15 models > view #14-15 clip false > select add #15 2 models selected > ui mousemode right "translate selected models" > view matrix models #15,1,0,0,-76.501,0,1,0,4.9008,0,0,1,3.4908 > select clear > close #12-17 > open /Users/arne/Downloads/cryosparc_P46_J1929_006_volume_map_sharp.mrc Opened cryosparc_P46_J1929_006_volume_map_sharp.mrc as #12, grid size 512,512,512, pixel 0.68, shown at level 0.0168, step 2, values float32 > open /Users/arne/Downloads/cryosparc_P46_J1929_006_volume_map.mrc Opened cryosparc_P46_J1929_006_volume_map.mrc as #13, grid size 512,512,512, pixel 0.68, shown at level 0.0174, step 2, values float32 > hide #!13 models > view #12 clip false > volume #12 level 0.05944 > volume #12 step 1 > volume #12 level 0.05653 > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > volume flip #12 Opened cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip as #14, grid size 512,512,512, pixel 0.68, shown at step 1, values float32 > show #!9 models > hide #!14 models > show #!12 models > fitmap #9 inMap #12 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#9) to map cryosparc_P46_J1929_006_volume_map_sharp.mrc (#12) using 16648 atoms average map value = 0.02472, steps = 96 shifted from previous position = 2.87 rotated from previous position = 3.15 degrees atoms outside contour = 13992, contour level = 0.05653 Position of ABCA2_prestate_AFassembly_KP.pdb (#9) relative to cryosparc_P46_J1929_006_volume_map_sharp.mrc (#12) coordinates: Matrix rotation and translation 0.98646146 0.03808505 -0.15950960 31.04677798 -0.07038483 0.97684290 -0.20204932 41.91819520 0.14812076 0.21054092 0.96629848 -77.69230014 Axis 0.78445326 -0.58489419 -0.20623258 Axis point 0.00000000 386.93710220 209.02872745 Rotation angle (degrees) 15.24692849 Shift along axis 15.85972039 > show #!14 models > hide #!12 models > select add #14 2 models selected > ui mousemode right "rotate selected models" > view matrix models > #14,0.91801,-0.383,0.10281,62.136,-0.39496,-0.85979,0.32368,332.21,-0.03558,-0.33775,-0.94056,407.69 > view matrix models > #14,0.91338,-0.40633,0.025305,80.673,-0.40705,-0.91041,0.073916,387.23,-0.0069961,-0.077814,-0.99694,367.86 > view matrix models > #14,0.91976,-0.38799,0.059281,70.39,-0.39147,-0.91772,0.067316,386.94,0.028286,-0.085121,-0.99597,362.8 > volume #12 level 0.06138 > volume #14 level 0.07011 > view matrix models > #14,-0.89632,-0.34332,0.2806,341.56,-0.34321,0.93786,0.051171,59.522,-0.28073,-0.050439,-0.95846,404.27 > ui mousemode right "translate selected models" > view matrix models > #14,-0.89632,-0.34332,0.2806,342.25,-0.34321,0.93786,0.051171,60.078,-0.28073,-0.050439,-0.95846,402.62 > fitmap #9 inMap #14 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#9) to map cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) using 16648 atoms average map value = 0.03908, steps = 256 shifted from previous position = 6.65 rotated from previous position = 16.5 degrees atoms outside contour = 13789, contour level = 0.070109 Position of ABCA2_prestate_AFassembly_KP.pdb (#9) relative to cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) coordinates: Matrix rotation and translation -0.88745653 -0.41344763 0.20367116 363.79290529 -0.43456682 0.89784123 -0.07094200 94.45154456 -0.15353357 -0.15146668 -0.97646570 418.66014652 Axis -0.21954660 0.97390132 -0.05758046 Axis point 212.38707986 0.00000000 194.97491209 Rotation angle (degrees) 169.43280316 Shift along axis -11.98965502 > fitmap #9 inMap #14 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#9) to map cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) using 16648 atoms average map value = 0.03908, steps = 44 shifted from previous position = 0.0146 rotated from previous position = 0.0277 degrees atoms outside contour = 13786, contour level = 0.070109 Position of ABCA2_prestate_AFassembly_KP.pdb (#9) relative to cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) coordinates: Matrix rotation and translation -0.88723714 -0.41382345 0.20386365 363.78645416 -0.43497542 0.89764429 -0.07093019 94.55313057 -0.15364447 -0.15160758 -0.97642639 418.68429519 Axis -0.21976471 0.97384992 -0.05761782 Axis point 212.42683998 0.00000000 194.97574777 Rotation angle (degrees) 169.42316003 Shift along axis -11.99053959 > fitmap #9 inMap #14 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#9) to map cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) using 16648 atoms average map value = 0.03908, steps = 40 shifted from previous position = 0.00443 rotated from previous position = 0.00786 degrees atoms outside contour = 13786, contour level = 0.070109 Position of ABCA2_prestate_AFassembly_KP.pdb (#9) relative to cryosparc_P46_J1929_006_volume_map_sharp.mrc z flip (#14) coordinates: Matrix rotation and translation -0.88728351 -0.41378065 0.20374870 363.80818838 -0.43491004 0.89767798 -0.07090468 94.53142515 -0.15356174 -0.15152491 -0.97645224 418.66364629 Axis -0.21973254 0.97385890 -0.05758872 Axis point 212.42109069 0.00000000 194.97226603 Rotation angle (degrees) 169.42917447 Shift along axis -11.99052842 > select clear > select ::name="Y01" 245 atoms, 266 bonds, 7 residues, 2 models selected > select ::name="CLR" 112 atoms, 124 bonds, 4 residues, 1 model selected > color sel orange > select clear > volume #14 level 0.05071 > surface #9 resolution 5 1 Gaussian surfaces, threshold level 0.191 > hide #14.1 models > show #14.1 models > hide #!14 models > show #!14 models > hide #9.2 models > color #!9 byhetero > volume #14 level 0.05556 > open /Users/arne/Documents/ChimeraX-commands/Color-ABCA2-with_alpha-fold.cxc > close session > cd /Users/arne/Documents/Projects/2025-ABCA2 Current working directory is: /Users/arne/Documents/Projects/2025-ABCA2 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_open_prestate.pdb Chain information for ABCA2_open_prestate.pdb #1 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_closed_ADP_poststate.pdb Chain information for ABCA2_closed_ADP_poststate.pdb #2 --- Chain | Description A | No description available > mmaker #1:811-836 to #2:811-836 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 ABCA2_closed_ADP_poststate.pdb, chain A (#2) with ABCA2_open_prestate.pdb, chain A (#1), sequence alignment score = 122.1 RMSD between 24 pruned atom pairs is 0.816 angstroms; (across all 26 pairs: 1.131) > view matrix camera > 0.4295,0.065969,0.90065,741.54,-0.8689,0.30192,0.39225,416.92,-0.24605,-0.95105,0.187,259.7 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2-morph.pdb Chain information for ABCA2-morph.pdb #3 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2-morph.dcd structureModel #3 Replaced existing frames of ABCA2-morph.pdb #3 with 61 new frames > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_prestate_AFassembly_KP.pdb Chain information for ABCA2_prestate_AFassembly_KP.pdb #4 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_poststate_AFassembly.pdb ABCA2_poststate_AFassembly.pdb title: Alphafold monomer V2.0 prediction for atp-binding cassette sub-family A member 2 (Q9BZC7) [more info...] Chain information for ABCA2_poststate_AFassembly.pdb #5 --- Chain | Description | UniProt A | atp-binding cassette sub-family A member 2 | ABCA2_HUMAN 1-2435 B C | No description available | Non-standard residues in ABCA2_poststate_AFassembly.pdb #5 --- 3PE — (3PE) ADP — (ADP) LMN — (LMN) MG — (MG) NAG — (NAG) Y01 — (Y01) > view matrix camera > 0.10605,-0.14587,0.9836,918.88,-0.99229,0.048234,0.11413,258.3,-0.064087,-0.98812,-0.13962,57.431 > select :194-219 764 atoms, 784 bonds, 104 residues, 4 models selected > delete atoms sel > delete bonds sel > select #4:194-219,2364-2435,1330-1436,924-961,1222-1249 Nothing selected > delete atoms sel > delete bonds sel > color #4.2 #6495ed80 > color #4.3 #ff8c0080 > color #4.4 #daa52080 > color #4.5 #1e90ff80 > color #4.6 #00ced17f > open /Users/arne/Documents/Projects/2025-ABCA2/Maps-and_Models/ABCA2-Pre-to- > Post.pdb ABCA2-Pre-to-Post.pdb title: Alphafold monomer V2.0 prediction for atp-binding cassette sub-family A member 2 (Q9BZC7) [more info...] Chain information for ABCA2-Pre-to-Post.pdb #6 --- Chain | Description | UniProt A | atp-binding cassette sub-family A member 2 | ABCA2_HUMAN 1-2435 B C | No description available | Non-standard residues in ABCA2-Pre-to-Post.pdb #6 --- NAG — (NAG) > open /Users/arne/Documents/Projects/2025-ABCA2/Maps-and_Models/ABCA2-Pre-to- > Post.dcd structureModel #6 Replaced existing frames of ABCA2-Pre-to-Post.pdb #6 with 101 new frames > mmaker #6 to #4 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 ABCA2_prestate_AFassembly_KP.pdb, chain A (#4) with ABCA2-Pre-to- Post.pdb, chain C (#6), sequence alignment score = 7531 RMSD between 299 pruned atom pairs is 0.659 angstroms; (across all 333 pairs: 1.293) > dssp Computing secondary structure > show #!6 surfaces > select :1-695 28486 atoms, 29132 bonds, 16 pseudobonds, 3662 residues, 12 models selected > color sel dark turquoise > select :696-1250 20003 atoms, 20432 bonds, 7 pseudobonds, 2599 residues, 11 models selected > color sel dodger blue > select :1251-1775 15546 atoms, 15943 bonds, 5 pseudobonds, 2007 residues, 10 models selected > color sel coral > select :1776-2270 20942 atoms, 21423 bonds, 4 pseudobonds, 2746 residues, 10 models selected > color sel goldenrod > select clear > select :1204-1312 1941 atoms, 1974 bonds, 3 pseudobonds, 247 residues, 6 models selected > color sel cornflower blue > select :2269-2363 2331 atoms, 2373 bonds, 285 residues, 3 models selected > color sel dark orange > select clear > select ::name="Y01" 350 atoms, 380 bonds, 10 residues, 3 models selected > color sel lime > color sel & #!1 byhetero > select clear > graphics silhouettes true > lighting full executed Color-ABCA2-with_alpha-fold.cxc > close session > open "/Users/arne/Documents/OLD_discs/Arne diss/maps/nph-oxy-001.ccp4" > format ccp4 Opened nph-oxy-001.ccp4 as #1, grid size 362,346,241, pixel 1.05,1.05,1.05, shown at level 0.0342, step 2, values float32 > volume #1 level 0.01357 > volume #1 level 0.00539 > open /Users/arne/Downloads/cryosparc_P46_J1929_006_volume_map.mrc Opened cryosparc_P46_J1929_006_volume_map.mrc as #2, grid size 512,512,512, pixel 0.68, shown at level 0.0174, step 2, values float32 > select add #2 2 models selected > view matrix models #2,1,0,0,3.0613,0,1,0,-7.3334,0,0,1,-172.57 > volume #2 level 0.04289 > volume #2 level 0.05407 > close session > open /Users/arne/Downloads/cryosparc_P46_J2062_006_volume_map_sharp.mrc Opened cryosparc_P46_J2062_006_volume_map_sharp.mrc as #1, grid size 512,512,512, pixel 0.68, shown at level 0.0479, step 2, values float32 > volume #1 level 0.1411 > volume #1 step 1 > surface dust #1 size 6.8 > open /Users/arne/Documents/ChimeraX-commands/Color-ABCA2-with_alpha-fold.cxc > close session > cd /Users/arne/Documents/Projects/2025-ABCA2 Current working directory is: /Users/arne/Documents/Projects/2025-ABCA2 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_open_prestate.pdb Chain information for ABCA2_open_prestate.pdb #1 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_closed_ADP_poststate.pdb Chain information for ABCA2_closed_ADP_poststate.pdb #2 --- Chain | Description A | No description available > mmaker #1:811-836 to #2:811-836 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 ABCA2_closed_ADP_poststate.pdb, chain A (#2) with ABCA2_open_prestate.pdb, chain A (#1), sequence alignment score = 122.1 RMSD between 24 pruned atom pairs is 0.816 angstroms; (across all 26 pairs: 1.131) > view matrix camera > 0.4295,0.065969,0.90065,741.54,-0.8689,0.30192,0.39225,416.92,-0.24605,-0.95105,0.187,259.7 > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2-morph.pdb Chain information for ABCA2-morph.pdb #3 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2-morph.dcd structureModel #3 Replaced existing frames of ABCA2-morph.pdb #3 with 61 new frames > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_prestate_AFassembly_KP.pdb Chain information for ABCA2_prestate_AFassembly_KP.pdb #4 --- Chain | Description A | No description available > open /Users/arne/Documents/Projects/2025-ABCA2/Maps- > and_Models/ABCA2_poststate_AFassembly.pdb ABCA2_poststate_AFassembly.pdb title: Alphafold monomer V2.0 prediction for atp-binding cassette sub-family A member 2 (Q9BZC7) [more info...] Chain information for ABCA2_poststate_AFassembly.pdb #5 --- Chain | Description | UniProt A | atp-binding cassette sub-family A member 2 | ABCA2_HUMAN 1-2435 B C | No description available | Non-standard residues in ABCA2_poststate_AFassembly.pdb #5 --- 3PE — (3PE) ADP — (ADP) LMN — (LMN) MG — (MG) NAG — (NAG) Y01 — (Y01) > view matrix camera > 0.10605,-0.14587,0.9836,918.88,-0.99229,0.048234,0.11413,258.3,-0.064087,-0.98812,-0.13962,57.431 > select :194-219 764 atoms, 784 bonds, 104 residues, 4 models selected > delete atoms sel > delete bonds sel > select #4:194-219,2364-2435,1330-1436,924-961,1222-1249 Nothing selected > delete atoms sel > delete bonds sel > color #4.2 #6495ed80 > color #4.3 #ff8c0080 > color #4.4 #daa52080 > color #4.5 #1e90ff80 > color #4.6 #00ced17f > open /Users/arne/Documents/Projects/2025-ABCA2/Maps-and_Models/ABCA2-Pre-to- > Post.pdb ABCA2-Pre-to-Post.pdb title: Alphafold monomer V2.0 prediction for atp-binding cassette sub-family A member 2 (Q9BZC7) [more info...] Chain information for ABCA2-Pre-to-Post.pdb #6 --- Chain | Description | UniProt A | atp-binding cassette sub-family A member 2 | ABCA2_HUMAN 1-2435 B C | No description available | Non-standard residues in ABCA2-Pre-to-Post.pdb #6 --- NAG — (NAG) > open /Users/arne/Documents/Projects/2025-ABCA2/Maps-and_Models/ABCA2-Pre-to- > Post.dcd structureModel #6 Replaced existing frames of ABCA2-Pre-to-Post.pdb #6 with 101 new frames > mmaker #6 to #4 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 ABCA2_prestate_AFassembly_KP.pdb, chain A (#4) with ABCA2-Pre-to- Post.pdb, chain C (#6), sequence alignment score = 7531 RMSD between 299 pruned atom pairs is 0.659 angstroms; (across all 333 pairs: 1.293) > dssp Computing secondary structure > show #!6 surfaces > select :1-695 28486 atoms, 29132 bonds, 16 pseudobonds, 3662 residues, 12 models selected > color sel dark turquoise > select :696-1250 20003 atoms, 20432 bonds, 7 pseudobonds, 2599 residues, 11 models selected > color sel dodger blue > select :1251-1775 15546 atoms, 15943 bonds, 5 pseudobonds, 2007 residues, 10 models selected > color sel coral > select :1776-2270 20942 atoms, 21423 bonds, 4 pseudobonds, 2746 residues, 10 models selected > color sel goldenrod > select clear > select :1204-1312 1941 atoms, 1974 bonds, 3 pseudobonds, 247 residues, 6 models selected > color sel cornflower blue > select :2269-2363 2331 atoms, 2373 bonds, 285 residues, 3 models selected > color sel dark orange > select clear > select ::name="Y01" 350 atoms, 380 bonds, 10 residues, 3 models selected > color sel lime > color sel & #!1 byhetero > select clear > graphics silhouettes true > lighting full executed Color-ABCA2-with_alpha-fold.cxc > open /Users/arne/Downloads/cryosparc_P46_J2062_006_volume_map_sharp.mrc Opened cryosparc_P46_J2062_006_volume_map_sharp.mrc as #7, grid size 512,512,512, pixel 0.68, shown at level 0.0479, step 2, values float32 > hide #!2 models > hide #!1 models > hide #!3 models > hide #!4 models > hide #!5 models > hide #!6 models > show #!5 models > volume #7 level 0.1085 > select add #5 16378 atoms, 16772 bonds, 8 pseudobonds, 2043 residues, 3 models selected > ui mousemode right "rotate selected models" > view matrix models > #5,-0.93093,-0.31811,0.17938,355.9,-0.31834,0.94756,0.028277,58.887,-0.17896,-0.030778,-0.98337,360.93 > view matrix models > #5,-0.94176,-0.25099,0.2238,338.78,-0.25874,0.96593,-0.0055124,51.041,-0.21479,-0.063097,-0.97462,371.25 > view matrix models > #5,-0.92992,-0.24759,0.27193,328.28,-0.22519,0.96795,0.11123,25.829,-0.29075,0.042197,-0.95587,362.82 > view matrix models > #5,-0.90465,-0.37281,0.20646,356.49,-0.34261,0.92435,0.1679,44.195,-0.25344,0.081152,-0.96394,350.98 > view matrix models > #5,-0.90843,-0.37265,0.18944,359.9,-0.35371,0.92672,0.12679,52.416,-0.2228,0.048171,-0.97367,353.09 > ui mousemode right "translate selected models" > view matrix models > #5,-0.90843,-0.37265,0.18944,393.85,-0.35371,0.92672,0.12679,134.98,-0.2228,0.048171,-0.97367,362.26 > ui mousemode right "rotate selected models" > view matrix models > #5,-0.89223,-0.37594,0.2502,381.69,-0.30756,0.91155,0.2729,105.8,-0.33067,0.16654,-0.92894,352.74 > view matrix models > #5,-0.2815,0.95103,0.12766,66.354,0.92321,0.3047,-0.23417,84.29,-0.2616,0.051942,-0.96378,366.61 > view matrix models > #5,0.90604,-0.16789,-0.38847,142.89,-0.21613,-0.97277,-0.083683,476.75,-0.36384,0.15978,-0.91765,357.74 > view matrix models > #5,0.9334,-0.17717,-0.31204,127.3,-0.15143,-0.98287,0.10508,436.52,-0.32531,-0.050833,-0.94424,392.19 > view matrix models > #5,0.98435,0.10841,-0.13892,40.503,0.087234,-0.98478,-0.15035,437.93,-0.15311,0.13588,-0.97882,335.92 > hide #!5 models > show #!4 models > select subtract #5 Nothing selected > select add #4 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 2 models selected > view matrix models > #4,0.085715,0.16025,-0.98335,290.83,0.64351,0.74459,0.17744,-92.116,0.76062,-0.648,-0.039302,164.35 > view matrix models > #4,-0.41088,0.91112,-0.032138,76.473,0.88771,0.39179,-0.24182,2.1193,-0.20774,-0.12789,-0.96979,388.11 > view matrix models > #4,-0.98742,0.13959,0.074291,302.6,0.11925,0.9659,-0.22981,24.248,-0.10384,-0.21806,-0.9704,387.31 > view matrix models > #4,-0.99047,-0.040556,0.13165,327.39,-0.067983,0.9751,-0.21108,51.546,-0.11981,-0.21802,-0.96856,389.74 > view matrix models > #4,-0.97755,0.00077084,0.21068,304.23,-0.053211,0.96667,-0.25043,57.155,-0.20385,-0.25602,-0.94493,407.36 > view matrix models > #4,-0.99745,0.035114,0.062122,325.97,0.021275,0.9773,-0.2108,35.761,-0.068113,-0.20894,-0.97555,380.32 > view matrix models > #4,-0.99288,-0.014456,0.11823,325.14,-0.040599,0.97424,-0.22182,48.797,-0.11198,-0.22504,-0.96789,389.6 > view matrix models > #4,-0.97913,-0.18116,0.092149,358.43,-0.19553,0.96336,-0.18361,71.07,-0.055508,-0.1978,-0.97867,376.58 > view matrix models > #4,-0.97727,-0.17474,0.12,352.26,-0.18851,0.97532,-0.11496,56.17,-0.096951,-0.13497,-0.98609,373.14 > view matrix models > #4,-0.98881,-0.12275,0.084762,350.36,-0.13154,0.98548,-0.10739,43.219,-0.070349,-0.11734,-0.9906,366.01 > ui mousemode right "translate selected models" > view matrix models > #4,-0.98881,-0.12275,0.084762,384.62,-0.13154,0.98548,-0.10739,127.27,-0.070349,-0.11734,-0.9906,363.32 > view matrix models > #4,-0.98881,-0.12275,0.084762,382.4,-0.13154,0.98548,-0.10739,119.6,-0.070349,-0.11734,-0.9906,400.86 > view matrix models > #4,-0.98881,-0.12275,0.084762,381.99,-0.13154,0.98548,-0.10739,118.69,-0.070349,-0.11734,-0.9906,399.34 > volume flip #7 Opened cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip as #8, grid size 512,512,512, pixel 0.68, shown at step 1, values float32 > view matrix models > #4,-0.98881,-0.12275,0.084762,353.66,-0.13154,0.98548,-0.10739,48.113,-0.070349,-0.11734,-0.9906,419.39 > view matrix models > #4,-0.98881,-0.12275,0.084762,355.81,-0.13154,0.98548,-0.10739,53.463,-0.070349,-0.11734,-0.9906,417.88 > ui mousemode right "rotate selected models" > view matrix models > #4,-0.26951,0.20848,0.94016,27.463,-0.57613,0.74739,-0.33089,211.78,-0.77165,-0.63083,-0.081311,483.09 > view matrix models > #4,0.82866,0.5176,0.2131,-97.897,-0.55557,0.71411,0.4259,88.3,0.068268,-0.47132,0.87932,148.74 > view matrix models > #4,0.82021,0.57192,-0.013074,-68.93,-0.5682,0.8118,-0.13464,165.6,-0.066392,0.11786,0.99081,42.625 > ui mousemode right "translate selected models" > view matrix models > #4,0.82021,0.57192,-0.013074,-78.158,-0.5682,0.8118,-0.13464,147.62,-0.066392,0.11786,0.99081,-34.52 > view clip false > view matrix models > #4,0.82021,0.57192,-0.013074,-76.385,-0.5682,0.8118,-0.13464,151.05,-0.066392,0.11786,0.99081,-26.909 > volume #8 level 0.2388 > view matrix models > #4,0.82021,0.57192,-0.013074,-108.18,-0.5682,0.8118,-0.13464,87.979,-0.066392,0.11786,0.99081,-19.852 > view matrix models > #4,0.82021,0.57192,-0.013074,-110.27,-0.5682,0.8118,-0.13464,84.568,-0.066392,0.11786,0.99081,-19.136 > ui mousemode right "rotate selected models" > view matrix models > #4,-0.61067,-0.777,0.15278,361.06,0.79188,-0.59875,0.12007,73.451,-0.0018165,0.19431,0.98094,-42.933 > ui mousemode right "translate selected models" > view matrix models > #4,-0.61067,-0.777,0.15278,395.53,0.79188,-0.59875,0.12007,129.86,-0.0018165,0.19431,0.98094,-49.726 > view matrix models > #4,-0.61067,-0.777,0.15278,393.9,0.79188,-0.59875,0.12007,127.25,-0.0018165,0.19431,0.98094,-47.354 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.04328, steps = 104 shifted from previous position = 1.3 rotated from previous position = 3.92 degrees atoms outside contour = 14690, contour level = 0.23884 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.63653544 -0.74318084 0.20616714 381.58838144 0.77029866 -0.62587209 0.12216427 135.72234129 0.03824411 0.23657216 0.97086097 -60.69411689 Axis 0.07492044 0.10996503 0.99110777 Axis point 160.89438429 160.82999010 0.00000000 Rotation angle (degrees) 130.22367799 Shift along axis -16.64093163 > view matrix models > #4,-0.63654,-0.74318,0.20617,381.91,0.7703,-0.62587,0.12216,135.85,0.038244,0.23657,0.97086,-61.897 > hide #!8 models > select clear Drag select of 2 residues > select clear > ui mousemode right "translate selected atoms" > ui mousemode right rotate > ui mousemode right select > select clear > select #4/A:2008 8 atoms, 7 bonds, 1 residue, 1 model selected > select clear > select add #4 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 2 models selected > select subtract #4 Nothing selected > select add #4 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 2 models selected > show #!8 models > show #!7 models > select add #7 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 4 models selected > select subtract #4 2 models selected Drag select of 7 cryosparc_P46_J2062_006_volume_map_sharp.mrc , 8 cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip > ui mousemode right "translate selected models" > ui mousemode right "rotate selected models" > view matrix models > #7,0.024512,0.31983,-0.94716,270.67,-0.90385,-0.39773,-0.15769,415.93,-0.42715,0.85995,0.27933,48.347,#8,0.024512,0.31983,-0.94716,270.67,-0.90385,-0.39773,-0.15769,415.93,-0.42715,0.85995,0.27933,48.347 > volume #7 level 0.416 > view matrix models > #7,0.13035,-0.96198,0.24001,272.48,-0.95092,-0.18982,-0.24437,402.51,0.28064,-0.19638,-0.93951,322.15,#8,0.13035,-0.96198,0.24001,272.48,-0.95092,-0.18982,-0.24437,402.51,0.28064,-0.19638,-0.93951,322.15 > view matrix models > #7,0.13436,-0.93993,0.31381,255.04,-0.97135,-0.18757,-0.14594,388.61,0.19603,-0.28521,-0.9382,352.6,#8,0.13436,-0.93993,0.31381,255.04,-0.97135,-0.18757,-0.14594,388.61,0.19603,-0.28521,-0.9382,352.6 > view matrix models > #7,0.43232,-0.88371,0.1793,215.82,-0.90104,-0.43108,0.047888,385.6,0.034974,-0.18226,-0.98263,370.57,#8,0.43232,-0.88371,0.1793,215.82,-0.90104,-0.43108,0.047888,385.6,0.034974,-0.18226,-0.98263,370.57 > view matrix models > #7,0.48439,-0.70562,0.51717,116.35,-0.75974,-0.6324,-0.15125,430.88,0.43378,-0.31965,-0.84241,300.03,#8,0.48439,-0.70562,0.51717,116.35,-0.75974,-0.6324,-0.15125,430.88,0.43378,-0.31965,-0.84241,300.03 > view matrix models > #7,0.93664,0.34649,0.051379,-68.846,-0.3282,0.91937,-0.21691,91.338,-0.12239,0.18631,0.97484,-7.1783,#8,0.93664,0.34649,0.051379,-68.846,-0.3282,0.91937,-0.21691,91.338,-0.12239,0.18631,0.97484,-7.1783 > view matrix models > #7,0.9895,0.048116,-0.13627,7.2551,-0.044354,0.99855,0.030513,-15.859,0.13754,-0.024149,0.9902,-18.532,#8,0.9895,0.048116,-0.13627,7.2551,-0.044354,0.99855,0.030513,-15.859,0.13754,-0.024149,0.9902,-18.532 > view matrix models > #7,0.99058,-0.030802,-0.1334,20.535,0.034474,0.99909,0.025302,-28.978,0.1325,-0.029662,0.99074,-16.758,#8,0.99058,-0.030802,-0.1334,20.535,0.034474,0.99909,0.025302,-28.978,0.1325,-0.029662,0.99074,-16.758 > view matrix models > #7,0.99914,-0.01119,-0.039887,-0.70647,0.01701,0.98873,0.14872,-45.516,0.037774,-0.14927,0.98807,21.619,#8,0.99914,-0.01119,-0.039887,-0.70647,0.01701,0.98873,0.14872,-45.516,0.037774,-0.14927,0.98807,21.619 > ui mousemode right "translate selected models" > view matrix models > #7,0.99914,-0.01119,-0.039887,9.3062,0.01701,0.98873,0.14872,-31.974,0.037774,-0.14927,0.98807,22.407,#8,0.99914,-0.01119,-0.039887,9.3062,0.01701,0.98873,0.14872,-31.974,0.037774,-0.14927,0.98807,22.407 > ui mousemode right "rotate selected models" > view matrix models > #7,0.94123,0.33535,-0.040315,-41.73,-0.32834,0.93644,0.1236,42.686,0.0792,-0.1031,0.99151,6.3139,#8,0.94123,0.33535,-0.040315,-41.73,-0.32834,0.93644,0.1236,42.686,0.0792,-0.1031,0.99151,6.3139 > fitmap #4 inMap #7 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) using 16648 atoms average map value = 0.02928, steps = 160 shifted from previous position = 2.33 rotated from previous position = 3.29 degrees atoms outside contour = 16198, contour level = 0.41602 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) coordinates: Matrix rotation and translation -0.83468538 -0.48060079 0.26892985 352.62994843 0.50845385 -0.86011224 0.04100839 241.98098325 0.21160118 0.17096752 0.96228640 -78.65361860 Axis 0.13006289 0.05737445 0.98984434 Axis point 148.62017221 171.27266560 0.00000000 Rotation angle (degrees) 150.02638805 Shift along axis -18.10724296 > select subtract #8 2 models selected > hide #!8 models > volume #7 level 0.2483 > view matrix models > #7,0.99641,0.036093,0.076602,-18.647,-0.032467,0.99832,-0.048065,9.042,-0.078208,0.045406,0.9959,7.0756 > view matrix models > #7,0.24838,-0.96574,0.075193,291.41,-0.95417,-0.2573,-0.15283,412.63,0.16694,-0.033788,-0.98539,319.9 > view matrix models > #7,0.33858,-0.93886,-0.062498,294.47,-0.93906,-0.34135,0.040517,391.47,-0.059374,0.044971,-0.99722,348.01 > ui mousemode right "translate selected models" > view matrix models > #7,0.33858,-0.93886,-0.062498,291.64,-0.93906,-0.34135,0.040517,387.97,-0.059374,0.044971,-0.99722,348.89 > fitmap #4 inMap #7 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) using 16648 atoms average map value = 0.03195, steps = 108 shifted from previous position = 3.17 rotated from previous position = 0.953 degrees atoms outside contour = 15542, contour level = 0.24828 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) coordinates: Matrix rotation and translation -0.94487543 0.32609552 -0.02953353 275.52549565 0.32532240 0.92474838 -0.19749904 -12.40087953 -0.03709248 -0.19621990 -0.97985815 404.77293890 Axis 0.16600780 0.98100666 -0.10033616 Axis point 139.20871589 0.00000000 201.48063422 Rotation angle (degrees) 179.77925907 Shift along axis -7.03932379 > fitmap #4 inMap #7 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) using 16648 atoms average map value = 0.03195, steps = 48 shifted from previous position = 0.00226 rotated from previous position = 0.00598 degrees atoms outside contour = 15540, contour level = 0.24828 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc (#7) coordinates: Matrix rotation and translation -0.94488105 0.32607696 -0.02955863 275.53615969 0.32530545 0.92473344 -0.19759688 -12.37930533 -0.03709794 -0.19632112 -0.97983766 404.78909009 Axis 0.16599939 0.98100285 -0.10038727 Axis point 139.21116120 0.00000000 201.49018113 Rotation angle (degrees) 179.77983170 Shift along axis -7.04097239 > show #!8 models > hide #!7 models > select subtract #7 Nothing selected > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03643, steps = 284 shifted from previous position = 3.3 rotated from previous position = 5.75 degrees atoms outside contour = 15032, contour level = 0.23884 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.81158526 -0.54451465 0.21173859 369.58350744 0.55685816 -0.83060610 -0.00160249 235.05291648 0.17674393 0.11660780 0.97732506 -66.17966127 Axis 0.10666382 0.03157647 0.99379362 Axis point 152.49055520 175.11475331 0.00000000 Rotation angle (degrees) 146.34949687 Shift along axis -18.92559461 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03643, steps = 60 shifted from previous position = 0.00963 rotated from previous position = 0.0269 degrees atoms outside contour = 15029, contour level = 0.23884 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.81183990 -0.54418567 0.21160813 369.58140481 0.55649068 -0.83085219 -0.00168479 235.17189765 0.17673191 0.11639017 0.97735318 -66.13942804 Axis 0.10661004 0.03148979 0.99380214 Axis point 152.49560503 175.12618747 0.00000000 Rotation angle (degrees) 146.37393851 Shift along axis -18.92290342 > volume #8 level 0.1687 > select add #4 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 2 models selected > view matrix models > #4,-0.58464,-0.79552,0.15921,392.57,0.80952,-0.58497,0.049739,129.93,0.053562,0.15796,0.98599,-52.482 > ui mousemode right "rotate selected models" > view matrix models > #4,-0.59451,-0.79986,0.082386,407.89,0.80316,-0.58578,0.10861,121.36,-0.038616,0.13074,0.99066,-32.323 > view matrix models > #4,-0.6871,-0.72123,0.087877,408.11,0.72602,-0.67687,0.1214,149.57,-0.028075,0.14721,0.98871,-36.9 > ui mousemode right "translate selected atoms" > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 256 shifted from previous position = 1.11 rotated from previous position = 5.81 degrees atoms outside contour = 14442, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83741059 -0.52597334 0.14864598 385.87429527 0.53754252 -0.84176719 0.04976059 230.78913601 0.09895256 0.12157357 0.98763775 -55.10658740 Axis 0.06729763 0.04656887 0.99664556 Axis point 161.20589953 172.81879546 0.00000000 Rotation angle (degrees) 147.75452852 Shift along axis -18.20572215 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 48 shifted from previous position = 0.0117 rotated from previous position = 0.00322 degrees atoms outside contour = 14444, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83741494 -0.52595394 0.14869008 385.85965478 0.53753155 -0.84177238 0.04979117 230.79068013 0.09897533 0.12162148 0.98762957 -55.12786336 Axis 0.06731563 0.04659008 0.99664335 Axis point 161.20042254 172.81705420 0.00000000 Rotation angle (degrees) 147.75548033 Shift along axis -18.21587647 > select clear > select :696-1250 20003 atoms, 20432 bonds, 7 pseudobonds, 2599 residues, 11 models selected > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 76 shifted from previous position = 0.0118 rotated from previous position = 0.00772 degrees atoms outside contour = 14445, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83740000 -0.52596309 0.14874189 385.84861903 0.53753468 -0.84177773 0.04966675 230.81379175 0.09908472 0.12154485 0.98762804 -55.12085539 Axis 0.06735962 0.04653556 0.99664293 Axis point 161.19226713 172.82615864 0.00000000 Rotation angle (degrees) 147.75504768 Shift along axis -18.20414628 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 76 shifted from previous position = 0.0018 rotated from previous position = 0.00122 degrees atoms outside contour = 14443, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83740917 -0.52595229 0.14872845 385.85168654 0.53752323 -0.84178442 0.04967738 230.81368227 0.09906935 0.12154528 0.98762952 -55.11823955 Axis 0.06735150 0.04653837 0.99664334 Axis point 161.19435933 172.82510072 0.00000000 Rotation angle (degrees) 147.75581888 Shift along axis -18.20384539 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 60 shifted from previous position = 0.00515 rotated from previous position = 0.00378 degrees atoms outside contour = 14443, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83739693 -0.52597931 0.14870182 385.86333664 0.53755188 -0.84176331 0.04972510 230.79366263 0.09901735 0.12157458 0.98763113 -55.11585561 Axis 0.06733074 0.04655972 0.99664375 Axis point 161.20032094 172.82069211 0.00000000 Rotation angle (degrees) 147.75394193 Shift along axis -18.20472196 > select :1-695 28486 atoms, 29132 bonds, 16 pseudobonds, 3662 residues, 12 models selected > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 64 shifted from previous position = 0.0117 rotated from previous position = 0.00313 degrees atoms outside contour = 14446, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83741458 -0.52595453 0.14869007 385.85998091 0.53753031 -0.84177425 0.04977294 230.79450845 0.09898516 0.12160600 0.98763049 -55.12632492 Axis 0.06731827 0.04658090 0.99664360 Axis point 161.20012216 172.81865507 0.00000000 Rotation angle (degrees) 147.75551146 Shift along axis -18.21525695 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 76 shifted from previous position = 0.00831 rotated from previous position = 0.00281 degrees atoms outside contour = 14443, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83740416 -0.52596964 0.14869526 385.86389810 0.53754139 -0.84176998 0.04972549 230.79652252 0.09901309 0.12157018 0.98763210 -55.11859559 Axis 0.06732754 0.04655845 0.99664403 Axis point 161.20093908 172.82097225 0.00000000 Rotation angle (degrees) 147.75463680 Shift along axis -18.20882247 > fitmap #4 inMap #8 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 16648 atoms average map value = 0.03592, steps = 64 shifted from previous position = 0.00878 rotated from previous position = 0.00306 degrees atoms outside contour = 14445, contour level = 0.16866 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.83743183 -0.52593333 0.14866789 385.86002564 0.53750187 -0.84179500 0.04972917 230.81217293 0.09899365 0.12155406 0.98763604 -55.11091584 Axis 0.06731385 0.04655441 0.99664514 Axis point 161.19903036 172.82302008 0.00000000 Rotation angle (degrees) 147.75725418 Shift along axis -18.20697787 > select clear > hide #!4 models > show #!1 models > mmaker #1 to #4 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 ABCA2_prestate_AFassembly_KP.pdb, chain A (#4) with ABCA2_open_prestate.pdb, chain A (#1), sequence alignment score = 7586.6 RMSD between 1565 pruned atom pairs is 0.357 angstroms; (across all 1615 pairs: 3.615) > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 13098 atoms average map value = 0.03457, steps = 84 shifted from previous position = 0.395 rotated from previous position = 1.37 degrees atoms outside contour = 11443, contour level = 0.16866 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96942267 -0.24398361 0.02630124 381.19198340 0.24070458 -0.96626739 -0.09158979 319.94616690 0.04776043 -0.08245838 0.99544945 -1.89642114 Axis 0.01881798 -0.04422305 0.99884443 Axis point 170.91422326 183.44084467 0.00000000 Rotation angle (degrees) 165.95850997 Shift along axis -8.86996016 > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 13098 atoms average map value = 0.03457, steps = 80 shifted from previous position = 0.000858 rotated from previous position = 0.00382 degrees atoms outside contour = 11444, contour level = 0.16866 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96943767 -0.24392221 0.02631760 381.18068120 0.24064148 -0.96628201 -0.09160141 319.96128109 0.04777383 -0.08246875 0.99544795 -1.89652700 Axis 0.01882540 -0.04422831 0.99884406 Axis point 170.91285228 183.44149462 0.00000000 Rotation angle (degrees) 165.96218544 Shift along axis -8.86980035 > select clear > select :1-600 23746 atoms, 24218 bonds, 16 pseudobonds, 3092 residues, 12 models selected > select :50-600 21292 atoms, 21686 bonds, 16 pseudobonds, 2804 residues, 12 models selected > delete atoms (#!1 & sel) > delete bonds (#!1 & sel) > select clear > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 9438 atoms average map value = 0.044, steps = 60 shifted from previous position = 0.0879 rotated from previous position = 0.219 degrees atoms outside contour = 7792, contour level = 0.16866 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96874696 -0.24649917 0.02770470 381.23096588 0.24297503 -0.96546483 -0.09402587 319.90129200 0.04992520 -0.08435572 0.99518422 -1.88014581 Axis 0.01973203 -0.04534114 0.99877667 Axis point 170.73445827 183.66331210 0.00000000 Rotation angle (degrees) 165.81598822 Shift along axis -8.86007504 > show #!8 models > hide #!8 models > hide #!1 models > show #!8 models > volume #8 level 0.289 > volume #8 level 0.08845 > view #8 clip false > surface dust #8 size 6.8 > volume #8 level 0.1185 > open /Users/arne/Downloads/250610_BicA_nd_BAY981.pdb Chain information for 250610_BicA_nd_BAY981.pdb #9 --- Chain | Description A B | No description available C D | No description available > hide #!8 models > view #9 clip false > color #9 bychain > hide #9 models > show #!8 models > volume #8 level 0.1959 > show #!4 models > hide #!4 models > show #!1 models > hide #!1 models > show #!2 models > hide #!2 models > show #!1 models > hide #!8 models > show #!8 models > hide #!8 models > show #!8 models > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 9438 atoms average map value = 0.044, steps = 60 shifted from previous position = 0.000603 rotated from previous position = 0.001 degrees atoms outside contour = 8008, contour level = 0.19595 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96874679 -0.24649965 0.02770624 381.23027856 0.24297451 -0.96546327 -0.09404325 319.90432126 0.04993097 -0.08437219 0.99518254 -1.87773749 Axis 0.01973390 -0.04534977 0.99877624 Axis point 170.73389227 183.66485011 0.00000000 Rotation angle (degrees) 165.81598308 Shift along axis -8.85986654 > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 9438 atoms average map value = 0.044, steps = 40 shifted from previous position = 0.000519 rotated from previous position = 0.00332 degrees atoms outside contour = 8006, contour level = 0.19595 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96873504 -0.24654560 0.02770825 381.23556328 0.24301840 -0.96544887 -0.09407758 319.90017345 0.04994530 -0.08440262 0.99517924 -1.87399091 Axis 0.01973818 -0.04536653 0.99877539 Axis point 170.73296682 183.66771487 0.00000000 Rotation angle (degrees) 165.81331289 Shift along axis -8.85955869 > open /Users/arne/Downloads/cryosparc_P79_J479_003_volume_map.mrc Opened cryosparc_P79_J479_003_volume_map.mrc as #10, grid size 384,384,384, pixel 0.68, shown at level 0.0258, step 2, values float32 > open /Users/arne/Downloads/cryosparc_P79_J479_003_volume_map_sharp.mrc Opened cryosparc_P79_J479_003_volume_map_sharp.mrc as #11, grid size 384,384,384, pixel 0.68, shown at level 0.0257, step 2, values float32 > hide #!1 models > volume #11 level 0.03838 > volume #11 step 1 > view #1 clip false > view #11 clip false > open /Users/arne/Downloads/cryosparc_P46_J2097_009_volume_map_sharp.mrc Opened cryosparc_P46_J2097_009_volume_map_sharp.mrc as #12, grid size 336,336,336, pixel 1.36, shown at level 0.0529, step 2, values float32 > hide #!11 models > hide #!12 models > show #!12 models > view #12 clip false > volume #12 level 0.07397 > volume #12 level 0.1372 > volume #12 step 1 > volume #12 level 0.2809 > volume #12 level 0.2658 > volume #12 level 0.4095 > volume #12 level 0.2885 > surface dust #12 size 13.6 > open /Users/arne/Downloads/cryosparc_P79_J593_005_volume_map_sharp.mrc Opened cryosparc_P79_J593_005_volume_map_sharp.mrc as #13, grid size 384,384,384, pixel 0.68, shown at level 0.0263, step 2, values float32 > view #13 clip false > volume #13 level 0.05006 > volume #13 step 1 > open /Users/arne/Downloads/cryosparc_P46_J2103_002_volume_map_sharp.mrc Opened cryosparc_P46_J2103_002_volume_map_sharp.mrc as #14, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > view #14 clip false > volume #14 region 0,0,0,671,671,671 step 4 > volume #14 change image level -0.003196,0 level 0.0229,0.8 level 0.2268,1 > volume #14 level 0.0245 > volume #14 step 1 > volume #14 level 0.0344 > surface dust #12 size 13.6 > surface dust #14 size 6.8 > volume #14 level 0.03902 > hide #!14 models > show #!14 models > hide #!12 models > show #!12 models > hide #!12 models > show #!12 models > hide #!12 models > show #!12 models > hide #!12 models > show #!12 models > hide #!14 models > show #!14 models > hide #!14 models > show #!14 models > hide #!14 models > show #!14 models > hide #!14 models > show #!14 models > hide #!12 models > show #!12 models > hide #!12 models > show #!12 models > hide #!12 models > show #!12 models > hide #!14 models > hide #!12 models > open /Users/arne/Downloads/cryosparc_P46_J2103_002_volume_map_sharp.mrc Opened cryosparc_P46_J2103_002_volume_map_sharp.mrc as #15, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > volume #15 region 0,0,0,671,671,671 step 4 > volume #15 change image level -0.003196,0 level 0.0229,0.8 level 0.2268,1 > volume #15 level 0.01864 > volume #15 step 1 > close #15 > open /Users/arne/Downloads/cryosparc_P79_J593_008_volume_map_sharp.mrc Opened cryosparc_P79_J593_008_volume_map_sharp.mrc as #15, grid size 384,384,384, pixel 0.68, shown at level 0.0247, step 2, values float32 > view #15 clip false > surface dust #15 size 6.8 > volume #15 level 0.04265 > surface dust #15 size 6.8 > volume #15 step 1 > volume #15 level 0.05365 > open /Users/arne/Downloads/cryosparc_P79_J592_007_volume_map_sharp.mrc Opened cryosparc_P79_J592_007_volume_map_sharp.mrc as #16, grid size 384,384,384, pixel 0.68, shown at level 0.0325, step 2, values float32 > hide #!15 models > volume #16 step 1 > volume #16 level 0.06526 > close #16 > show #!8 models > view #8 clip false > show #!1 models > hide #!8 models > select add #1 9438 atoms, 9707 bonds, 5 pseudobonds, 1156 residues, 2 models selected > show #!8 models > ui mousemode right "translate selected models" > view matrix models > #1,-0.83232,-0.55241,-0.04559,422.89,0.55182,-0.83356,0.025805,215.25,-0.052257,-0.0036795,0.99863,2.9155 > view matrix models > #1,-0.83232,-0.55241,-0.04559,421.45,0.55182,-0.83356,0.025805,212.85,-0.052257,-0.0036795,0.99863,2.1251 > view matrix models > #1,-0.83232,-0.55241,-0.04559,421.87,0.55182,-0.83356,0.025805,213.31,-0.052257,-0.0036795,0.99863,1.8801 > ui mousemode right "translate selected atoms" > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 9438 atoms average map value = 0.04593, steps = 92 shifted from previous position = 2.93 rotated from previous position = 2.78 degrees atoms outside contour = 7963, contour level = 0.19595 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96309458 -0.26344591 0.05518290 374.81147584 0.26024438 -0.96374090 -0.05896094 305.68075451 0.06871503 -0.04242391 0.99673392 -13.85242441 Axis 0.03155162 -0.02581845 0.99916861 Axis point 167.24147083 177.69585781 0.00000000 Rotation angle (degrees) 164.80749036 Shift along axis -9.90720459 > fitmap #1 inMap #8 Fit molecule ABCA2_open_prestate.pdb (#1) to map cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) using 9438 atoms average map value = 0.04593, steps = 28 shifted from previous position = 0.00788 rotated from previous position = 0.00468 degrees atoms outside contour = 7963, contour level = 0.19595 Position of ABCA2_open_prestate.pdb (#1) relative to cryosparc_P46_J2062_006_volume_map_sharp.mrc z flip (#8) coordinates: Matrix rotation and translation -0.96311093 -0.26337758 0.05522375 374.79079351 0.26017399 -0.96375966 -0.05896506 305.70185975 0.06875248 -0.04242211 0.99673142 -13.86206918 Axis 0.03157127 -0.02581882 0.99916798 Axis point 167.23558545 177.69808429 0.00000000 Rotation angle (degrees) 164.81160205 Shift along axis -9.91077348 > select clear > open emdb:16467 Summary of feedback from opening 16467 fetched from emdb --- notes | Fetching compressed map 16467 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16467/map/emd_16467.map.gz Fetching map header 16467 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16467/header/emd-16467.xml Opened emdb 16467 as #16, grid size 432,432,432, pixel 0.924, shown at level 0.18, step 2, values float32, fit PDB 8c80 > hide #!8 models > hide #!1 models > open 8c80 Summary of feedback from opening 8c80 fetched from pdb --- notes | Fetching compressed mmCIF 8c80 from http://files.rcsb.org/download/8c80.cif Fetching CCD Q7G from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/Q7G/Q7G.cif Fetching CCD Z8A from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/A/Z8A/Z8A.cif 8c80 title: Cryo-EM structure of the yeast SPT-Orm1-Monomer complex [more info...] Chain information for 8c80 #17 --- Chain | Description | UniProt A | Protein ORM1 | ORM1_YEAST 1-222 B | Serine palmitoyltransferase 1 | LCB1_YEAST -21-558 C | Serine palmitoyltransferase 2 | LCB2_YEAST 1-561 D | Serine palmitoyltransferase-regulating protein TSC3 | TSC3_YEAST 1-80 Non-standard residues in 8c80 #17 --- ERG — ergosterol PLP — pyridoxal-5'-phosphate (VITAMIN B6 Phosphate) Q7G — 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D- glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside Z8A — N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide > volume #16 step 1 > volume #16 level 0.1235 > hide #!16 models Drag select of 27 residues > select clear > show #!16 models > surface #17 resolution 3.5 4 Gaussian surfaces, threshold level 0.428 - 0.430 > hide #!16 models > show #!16 models > open emdb:16469 Summary of feedback from opening 16469 fetched from emdb --- notes | Fetching compressed map 16469 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16469/map/emd_16469.map.gz Fetching map header 16469 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16469/header/emd-16469.xml Opened emdb 16469 as #18, grid size 432,432,432, pixel 0.924, shown at level 0.13, step 2, values float32, fit PDB 8c82 > hide #!16 models > hide #!17 models > volume #18 step 1 > volume #18 level 0.1214 > open emdb:16468 Summary of feedback from opening 16468 fetched from emdb --- notes | Fetching compressed map 16468 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16468/map/emd_16468.map.gz Fetching map header 16468 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-16468/header/emd-16468.xml Opened emdb 16468 as #19, grid size 432,432,432, pixel 0.924, shown at level 0.14, step 2, values float32, fit PDB 8c81 > volume #18 level 0.08701 > hide #!18 models > volume #19 step 1 > volume #19 level 0.1652 > ui tool show "Map Filter" > volume gaussian #19 sDev 0.7 Opened emdb 16468 gaussian as #20, grid size 432,432,432, pixel 0.924, shown at step 1, values float32 > volume #20 level 0.08351 > volume gaussian #19 sDev 3.88 modelId #20 Opened emdb 16468 gaussian as #20, grid size 432,432,432, pixel 0.924, shown at step 1, values float32 > volume gaussian #19 sDev 3.88 modelId #20 Opened emdb 16468 gaussian as #20, grid size 432,432,432, pixel 0.924, shown at step 1, values float32 > volume #20 level 0.03785 > volume gaussian #18 sDev 3.88 Opened emdb 16469 gaussian as #21, grid size 432,432,432, pixel 0.924, shown at step 1, values float32 > volume #21 level 0.04255 > open emdb:14760 Summary of feedback from opening 14760 fetched from emdb --- notes | Fetching compressed map 14760 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-14760/map/emd_14760.map.gz Fetching map header 14760 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-14760/header/emd-14760.xml Opened emdb 14760 as #22, grid size 400,400,400, pixel 0.573, shown at level 0.09, step 2, values float32, fit PDB 7zka > hide #!21 models > view #22 clip false > volume gaussian #22 sDev 3.88 Opened emdb 14760 gaussian as #23, grid size 400,400,400, pixel 0.573, shown at step 1, values float32 > volume #23 level 0.02262 > hide #!23 models > show #!22 models > hide #!22 models > show #!21 models > lighting soft > lighting full > hide #!21 models > open /Users/arne/Downloads/cryosparc_P46_J2120_003_volume_map_sharp.mrc Opened cryosparc_P46_J2120_003_volume_map_sharp.mrc as #24, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > volume #24 region 0,0,0,671,671,671 step 4 > volume #24 change image level -0.01109,0 level 0.02893,0.8 level 0.4332,1 > volume #24 level 0.04809 > volume #24 step 1 > view #24 clip false > volume #24 level 0.07671 > open /Users/arne/Downloads/cryosparc_P46_J2120_003_volume_map.mrc Opened cryosparc_P46_J2120_003_volume_map.mrc as #25, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > volume #25 region 0,0,0,671,671,671 step 4 > volume #25 step 1 > volume #25 change image level -0.003069,0 level 0.02136,0.8 level 0.1826,1 > volume #25 level 0.01264 > volume #25 level 0.03001 > show #!1 models > select add #1 9438 atoms, 9707 bonds, 5 pseudobonds, 1156 residues, 2 models selected > ui mousemode right "translate selected models" > view matrix models > #1,-0.82203,-0.56938,-0.0079789,523.09,0.56837,-0.82126,0.049843,213.41,-0.034932,0.036438,0.99873,41.191 > view matrix models > #1,-0.82203,-0.56938,-0.0079789,512.27,0.56837,-0.82126,0.049843,259.21,-0.034932,0.036438,0.99873,36.708 > view matrix models > #1,-0.82203,-0.56938,-0.0079789,505.71,0.56837,-0.82126,0.049843,287.07,-0.034932,0.036438,0.99873,44.33 > ui mousemode right "rotate selected models" > view matrix models > #1,-0.81357,-0.58005,-0.040612,511.67,0.55921,-0.76136,-0.32804,342.21,0.15936,-0.2896,0.94379,77.61 > view matrix models > #1,0.94373,0.24841,-0.21832,111.23,-0.29827,0.92448,-0.23743,179.49,0.14285,0.28919,0.94655,-19.208 > ui mousemode right "translate selected models" > view matrix models > #1,0.94373,0.24841,-0.21832,103.23,-0.29827,0.92448,-0.23743,154.13,0.14285,0.28919,0.94655,-21.969 > view matrix models > #1,0.94373,0.24841,-0.21832,74.869,-0.29827,0.92448,-0.23743,167.23,0.14285,0.28919,0.94655,-7.7555 > ui mousemode right "rotate selected models" > view matrix models > #1,0.92186,0.28313,-0.26459,80.358,-0.23841,0.95265,0.18873,80.383,0.3055,-0.1109,0.94571,34.148 > ui mousemode right "translate selected models" > view matrix models > #1,0.92186,0.28313,-0.26459,82.049,-0.23841,0.95265,0.18873,75.778,0.3055,-0.1109,0.94571,21.537 > view matrix models > #1,0.92186,0.28313,-0.26459,82.374,-0.23841,0.95265,0.18873,74.642,0.3055,-0.1109,0.94571,19.407 > view matrix models > #1,0.92186,0.28313,-0.26459,82.049,-0.23841,0.95265,0.18873,76.558,0.3055,-0.1109,0.94571,20.636 > ui mousemode right "rotate selected models" > view matrix models > #1,0.92881,0.27088,-0.25286,81.017,-0.26337,0.96259,0.063739,100.13,0.26066,0.0073941,0.9654,4.4155 > ui mousemode right "translate selected models" > view matrix models > #1,0.92881,0.27088,-0.25286,81.423,-0.26337,0.96259,0.063739,96.824,0.26066,0.0073941,0.9654,3.9273 > view matrix models > #1,0.92881,0.27088,-0.25286,68.366,-0.26337,0.96259,0.063739,94.303,0.26066,0.0073941,0.9654,5.1192 > view matrix models > #1,0.92881,0.27088,-0.25286,68.101,-0.26337,0.96259,0.063739,94.337,0.26066,0.0073941,0.9654,6.0277 > view matrix models > #1,0.92881,0.27088,-0.25286,67.503,-0.26337,0.96259,0.063739,95.548,0.26066,0.0073941,0.9654,11.392 > flip #25 Unknown command: flip #25 > volume flip #25 Opened cryosparc_P46_J2120_003_volume_map.mrc z flip as #26, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > view matrix models > #1,0.92881,0.27088,-0.25286,62.72,-0.26337,0.96259,0.063739,134.84,0.26066,0.0073941,0.9654,11.691 > view matrix models > #1,0.92881,0.27088,-0.25286,57.543,-0.26337,0.96259,0.063739,147.26,0.26066,0.0073941,0.9654,28.501 > view matrix models > #1,0.92881,0.27088,-0.25286,58.389,-0.26337,0.96259,0.063739,145.79,0.26066,0.0073941,0.9654,25.027 > ui mousemode right "rotate selected models" > view matrix models > #1,0.90363,0.31275,-0.29265,62.121,-0.22165,0.9261,0.30529,104.19,0.36651,-0.211,0.90617,55.012 > view matrix models > #1,0.9154,0.29275,-0.27629,60.846,-0.24374,0.94934,0.19835,121.94,0.32036,-0.11422,0.94038,40.217 > view matrix models > #1,0.91189,0.29864,-0.28154,61.303,-0.2376,0.94345,0.23119,116.37,0.33466,-0.14393,0.93128,44.493 > view matrix models > #1,0.91522,0.29306,-0.27657,60.872,-0.24343,0.94906,0.20007,121.64,0.32112,-0.11578,0.93994,40.435 > view matrix models > #1,0.90965,0.30244,-0.28473,61.562,-0.23346,0.9392,0.25178,112.93,0.34357,-0.16256,0.92495,47.289 > view matrix models > #1,0.9211,0.28333,-0.26702,59.955,-0.25288,0.95687,0.14298,131.52,0.29602,-0.064177,0.95302,33.508 > view matrix models > #1,0.89926,0.32032,-0.29786,62.454,-0.21247,0.91512,0.34267,98.095,0.38234,-0.24486,0.89099,60.772 > view matrix models > #1,0.88065,0.31619,-0.35281,75.534,-0.2253,0.93461,0.27522,108.29,0.41676,-0.16288,0.8943,40.478 > view matrix models > #1,-0.94094,-0.29432,-0.16735,447.41,0.30664,-0.95037,-0.052675,398.58,-0.14354,-0.10088,0.98449,106.64 > view matrix models > #1,-0.8619,-0.45237,-0.22912,471.94,0.46812,-0.88351,-0.016583,354.6,-0.19493,-0.12155,0.97326,120.49 > view matrix models > #1,-0.86536,-0.47871,-0.14828,463.39,0.47065,-0.87795,0.087661,335.66,-0.17215,0.006071,0.98505,92.933 > dssp Computing secondary structure > ui mousemode right "translate selected models" > view matrix models > #1,-0.86536,-0.47871,-0.14828,449.57,0.47065,-0.87795,0.087661,316.02,-0.17215,0.006071,0.98505,84.857 > view matrix models > #1,-0.86536,-0.47871,-0.14828,452.05,0.47065,-0.87795,0.087661,290.14,-0.17215,0.006071,0.98505,80.117 > view matrix models > #1,-0.86536,-0.47871,-0.14828,452.47,0.47065,-0.87795,0.087661,284,-0.17215,0.006071,0.98505,81.768 > view matrix models > #1,-0.86536,-0.47871,-0.14828,473.39,0.47065,-0.87795,0.087661,285.57,-0.17215,0.006071,0.98505,89.475 > view matrix models > #1,-0.86536,-0.47871,-0.14828,471.03,0.47065,-0.87795,0.087661,243.46,-0.17215,0.006071,0.98505,88.498 > view matrix models > #1,-0.86536,-0.47871,-0.14828,476.71,0.47065,-0.87795,0.087661,216.77,-0.17215,0.006071,0.98505,92.721 > view matrix models > #1,-0.86536,-0.47871,-0.14828,476.94,0.47065,-0.87795,0.087661,215.64,-0.17215,0.006071,0.98505,93.001 > ui mousemode right "rotate selected models" > view matrix models > #1,-0.85418,-0.49118,-0.17064,481.01,0.45962,-0.86667,0.19397,197.59,-0.24317,0.087258,0.96605,93.952 > view matrix models > #1,-0.87553,-0.46743,-0.12227,472.29,0.47383,-0.88017,-0.028108,235.04,-0.094478,-0.082544,0.9921,94.247 > view matrix models > #1,-0.87539,-0.46759,-0.1227,472.37,0.47385,-0.88021,-0.026247,234.72,-0.095729,-0.081118,0.9921,94.204 > view matrix models > #1,-0.86899,-0.47467,-0.13978,475.41,0.47273,-0.87985,0.048976,222.14,-0.14623,-0.023517,0.98897,93.14 > ui mousemode right "translate selected models" > view matrix models > #1,-0.86899,-0.47467,-0.13978,459.87,0.47273,-0.87985,0.048976,292.31,-0.14623,-0.023517,0.98897,87.045 > view matrix models > #1,-0.86899,-0.47467,-0.13978,472.64,0.47273,-0.87985,0.048976,288.71,-0.14623,-0.023517,0.98897,88.675 > view matrix models > #1,-0.86899,-0.47467,-0.13978,470.24,0.47273,-0.87985,0.048976,289.36,-0.14623,-0.023517,0.98897,89.058 > hide #!1 models > show #!4 models > mmaker #4 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 ABCA2_open_prestate.pdb, chain A (#1) with ABCA2_prestate_AFassembly_KP.pdb, chain A (#4), sequence alignment score = 6855.8 RMSD between 1083 pruned atom pairs is 0.419 angstroms; (across all 1133 pairs: 4.315) > select clear > hide #4,26 target a > select add #4 16648 atoms, 17044 bonds, 6 pseudobonds, 2095 residues, 2 models selected > view matrix models > #4,-0.68362,-0.7298,0.0074217,433.3,0.71998,-0.67269,0.17065,250.43,-0.11955,0.12201,0.9853,42.796 > ui mousemode right "play coordinates" > ui mousemode right "rotate selected models" > view matrix models > #4,-0.4357,-0.80862,0.39536,340,-0.86323,0.49981,0.070933,322.48,-0.25496,-0.31038,-0.91579,465.89 > view matrix models > #4,-0.44891,-0.7951,0.4078,337.68,-0.87544,0.48282,-0.02231,343.41,-0.17916,-0.36702,-0.9128,462.83 > view matrix models > #4,0.93612,0.35133,-0.015556,-41.588,0.35159,-0.934,0.063461,380.2,0.0077672,-0.064877,-0.99786,389.06 > view matrix models > #4,0.93188,0.36188,-0.025371,-41.16,0.36211,-0.92369,0.12517,366.1,0.021861,-0.12583,-0.99181,396.9 > ui mousemode right "translate selected models" > view matrix models > #4,0.93188,0.36188,-0.025371,-37.581,0.36211,-0.92369,0.12517,306.09,0.021861,-0.12583,-0.99181,421.33 > view matrix models > #4,0.93188,0.36188,-0.025371,6.8863,0.36211,-0.92369,0.12517,314.04,0.021861,-0.12583,-0.99181,438.05 > view matrix models > #4,0.93188,0.36188,-0.025371,7.0224,0.36211,-0.92369,0.12517,314.1,0.021861,-0.12583,-0.99181,438.7 > ui mousemode right "rotate selected models" > fitmap #4 inMap #26 Fit molecule ABCA2_prestate_AFassembly_KP.pdb (#4) to map cryosparc_P46_J2120_003_volume_map.mrc z flip (#26) using 16648 atoms average map value = 0.02473, steps = 452 shifted from previous position = 3.96 rotated from previous position = 10.6 degrees atoms outside contour = 11760, contour level = 0.030005 Position of ABCA2_prestate_AFassembly_KP.pdb (#4) relative to cryosparc_P46_J2120_003_volume_map.mrc z flip (#26) coordinates: Matrix rotation and translation 0.89074781 0.41221908 -0.19142563 35.88726921 0.44298552 -0.88161985 0.16281973 283.89082033 -0.10164724 -0.22983010 -0.96790803 477.50196589 Axis -0.97201087 -0.22224783 0.07616282 Axis point 0.00000000 163.15274299 225.97441810 Rotation angle (degrees) 168.34734294 Shift along axis -61.60903631 > select clear > open /Users/arne/Downloads/cryosparc_P46_J2121_003_volume_map_sharp.mrc Opened cryosparc_P46_J2121_003_volume_map_sharp.mrc as #27, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > open /Users/arne/Downloads/cryosparc_P46_J2121_003_volume_map.mrc Opened cryosparc_P46_J2121_003_volume_map.mrc as #28, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > volume #28 region 0,0,0,671,671,671 step 4 > volume flip #28 Opened cryosparc_P46_J2121_003_volume_map.mrc z flip as #29, grid size 672,672,672, pixel 0.68, shown at step 1, values float32 > volume #29 level 0.01634 > volume #29 level 0.02319 > volume #29 level 0.0289 > hide #!26 models > show #!26 models > hide #!4 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > fitmap #26 inMap #29 Fit map cryosparc_P46_J2120_003_volume_map.mrc z flip in map cryosparc_P46_J2121_003_volume_map.mrc z flip using 287241 points correlation = 0.9901, correlation about mean = 0.9591, overlap = 1367 steps = 64, shift = 0.205, angle = 0.577 degrees Position of cryosparc_P46_J2120_003_volume_map.mrc z flip (#26) relative to cryosparc_P46_J2121_003_volume_map.mrc z flip (#29) coordinates: Matrix rotation and translation 0.99994993 0.01000697 0.00001786 -2.37470843 -0.01000694 0.99994932 -0.00109989 2.54041689 -0.00002886 0.00109966 0.99999939 -0.42763578 Axis 0.10924314 0.00232040 -0.99401235 Axis point 252.60806599 240.44220571 0.00000000 Rotation angle (degrees) 0.57681976 Shift along axis 0.17154943 > hide #!26 models > hide #!29 models > open /Users/arne/Downloads/cryosparc_P79_J621_012_volume_map_sharp.mrc Opened cryosparc_P79_J621_012_volume_map_sharp.mrc as #30, grid size 384,384,384, pixel 0.68, shown at level 0.0269, step 2, values float32 > view #30 clip false > volume #30 level 0.0425 > volume #30 step 1 > volume #30 level 0.06063 > volume #30 level 0.0969 > hide #!30 models > open 1PYK Summary of feedback from opening 1PYK fetched from pdb --- note | Fetching compressed mmCIF 1pyk from http://files.rcsb.org/download/1pyk.cif 1pyk title: Crystal structure of cat muscle pyruvate kinase At A resolution of 2.6 angstroms [more info...] Chain information for 1pyk #31 --- Chain | Description A | PYRUVATE KINASE 1pyk mmCIF Assemblies --- 1| author_defined_assembly > view #31 clip false > open /Users/arne/Downloads/1pyk.pdb1.gz 1pyk.pdb1.gz title: Crystal structure of cat muscle pyruvate kinase At A resolution of 2.6 angstroms [more info...] Chain information for 1pyk.pdb1.gz --- Chain | Description 32.1/A 32.2/A 32.3/A 32.4/A | No description available > hide #!31 models > view #32 clip false > hide #!32 models > show #!26 models > view #26 clip false > show #!29 models > hide #!26 models > hide #!29 models > show #!27 models > hide #!27 models > show #!24 models > hide #!24 models > show #!25 models > hide #!25 models > show #!26 models > show #!4 models > hide #!4 models > hide #!26 models > show #!26 models > show #!32 models > show #!25 models > hide #!26 models > show #!24 models > hide #!25 models > hide #!24 models > view #32 clip false > surface #32.1 resolution 4 1 Gaussian surfaces, threshold level 0.243 > surface #32 resolution 4 4 Gaussian surfaces, threshold level 0.243 > surface #32 resolution 5 4 Gaussian surfaces, threshold level 0.125 > surface #32 resolution 15 4 Gaussian surfaces, threshold level 0.011 > hide #32.1.2 models > hide #32.1.1 models > hide #!32.1 models > show #!32.1 models > show #32.1.1 models > show #32.1.2 models > hide #32.1.1 models > hide #!32.1 models > show #!32.1 models > hide #!32 models > show #!30 models > view #30 clip false > hide #!30 models > show #!28 models > hide #!28 models > show #!29 models > show #!26 models > view #29 clip false > hide #!29 models > show #!29 models > hide #!29 models > show #!29 models > hide #!29 models > show #!29 models > hide #!29 models > show #!29 models > hide #!29 models > show #!29 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > hide #!26 models > show #!26 models > show #!4 models > hide #!4 models > hide #!29 models > hide #!26 models > show #!32 models > view #32 clip false > hide #32.1.2 models > show #32.1.2 models > surface #32.2 resolution 15 1 Gaussian surfaces, threshold level 0.011 > surface #32.3 resolution 15 1 Gaussian surfaces, threshold level 0.011 > surface #32.4 resolution 15 1 Gaussian surfaces, threshold level 0.011 > hide #!32.1 models > show #!32.1 models > hide #!32.2 models > show #!32.2 models > hide #32.2.1 models > hide #!32.2 models > show #!32.2 models > hide #32.2.2 models > hide #!32.2 models > show #32.2.2 models > hide #!32.3 models > hide #32.3.1 models > show #!32.3 models > hide #32.3.2 models > show #32.3.2 models > hide #!32.3 models > show #32.3.1 models > hide #32.3.2 models > hide #!32.3 models > hide #32.3.1 models > show #32.3.2 models > hide #32.4.1 models > hide #32.4.2 models > show #32.4.2 models > select clear > hide #!32.1-4 cartoons > select clear > hide #!32.4 models > show #!32.4 models ===== Log before crash end ===== Log: 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 OpenGL version: 4.1 Metal - 89.3 OpenGL renderer: Apple M1 Ultra OpenGL vendor: Apple Python: 3.11.4 Locale: 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: Mac Studio Model Identifier: Mac13,2 Model Number: Z14K000B9D/A Chip: Apple M1 Ultra Total Number of Cores: 20 (16 performance and 4 efficiency) Memory: 128 GB System Firmware Version: 11881.81.4 OS Loader Version: 11881.81.4 Software: System Software Overview: System Version: macOS 15.3.2 (24D81) Kernel Version: Darwin 24.3.0 Time since boot: 84 days, 2 hours, 9 minutes Graphics/Displays: Apple M1 Ultra: Chipset Model: Apple M1 Ultra Type: GPU Bus: Built-In Total Number of Cores: 64 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: EV2785: Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition) UI Looks like: 1920 x 1080 @ 60.00Hz Main Display: Yes Mirror: Off Online: Yes Rotation: Supported EV2785: Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition) UI Looks like: 1920 x 1080 @ 60.00Hz Mirror: Off Online: Yes Rotation: Supported EV2785: Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition) UI Looks like: 1920 x 1080 @ 60.00Hz 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 babel: 2.16.0 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-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-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 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 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 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 packaging: 23.2 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 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 tornado: 6.4.2 traitlets: 5.14.3 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-filename: 1.4.1 widgetsnbextension: 4.0.13
Change History (2)
comment:1 by , 4 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 on Mac waking from sleep |
comment:2 by , 4 months ago
Resolution: | → duplicate |
---|---|
Status: | assigned → closed |
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