﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
9530	Crash in garbage collection while drawing volume histogram after opening session	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-12.6.5-x86_64-i386-64bit
ChimeraX Version: 1.7.dev202307312254 (2023-07-31 22:54:15 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x000070001517b000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 579 in _handle_results
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x0000700014178000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 531 in _handle_tasks
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x0000700013175000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py"", line 415 in select
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py"", line 930 in wait
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 502 in _wait_for_updates
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 522 in _handle_workers
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x0000700012172000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070001116f000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070001016c000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070000f169000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070000e166000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070000d163000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070000c160000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Thread 0x000070000b15d000 (most recent call first):
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 975 in run
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1038 in _bootstrap_inner
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 995 in _bootstrap

Current thread 0x0000000115176600 (most recent call first):
  Garbage-collecting
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/map/histogram.py"", line 47 in show_data
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/map/volume_viewer.py"", line 2754 in update_histogram
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/map/volume_viewer.py"", line 2729 in update_cb
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 275 in event_loop
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 893 in init
  File ""/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1044 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.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, 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, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, chimerax.surface._surface, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, psutil._psutil_osx, psutil._psutil_posix, lxml._elementpath, lxml.etree, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp, chimerax.mlp._mlp (total: 66)


{""app_name"":""ChimeraX"",""timestamp"":""2023-08-05 12:23:06.00 -0500"",""app_version"":""1.7.0"",""slice_uuid"":""194a3167-3db5-3029-8d22-1d742b826bb9"",""build_version"":""1.7.0.0"",""platform"":1,""bundleID"":""edu.ucsf.cgl.ChimeraX"",""share_with_app_devs"":0,""is_first_party"":0,""bug_type"":""309"",""os_version"":""macOS 12.6.5 (21G531)"",""incident_id"":""B93A63B7-3577-4219-8D43-DF4B81CB6E94"",""name"":""ChimeraX""}
{
  ""uptime"" : 59000,
  ""procLaunch"" : ""2023-08-02 15:25:54.8323 -0500"",
  ""procRole"" : ""Foreground"",
  ""version"" : 2,
  ""userID"" : 501,
  ""deployVersion"" : 210,
  ""modelCode"" : ""MacBookPro16,2"",
  ""procStartAbsTime"" : 16925643071233,
  ""coalitionID"" : 1770,
  ""osVersion"" : {
    ""train"" : ""macOS 12.6.5"",
    ""build"" : ""21G531"",
    ""releaseType"" : ""User""
  },
  ""captureTime"" : ""2023-08-05 12:22:49.5992 -0500"",
  ""incident"" : ""B93A63B7-3577-4219-8D43-DF4B81CB6E94"",
  ""bug_type"" : ""309"",
  ""pid"" : 10757,
  ""procExitAbsTime"" : 59955252084609,
  ""cpuType"" : ""X86-64"",
  ""procName"" : ""ChimeraX"",
  ""procPath"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/MacOS\/ChimeraX"",
  ""bundleInfo"" : {""CFBundleShortVersionString"":""1.7.0"",""CFBundleVersion"":""1.7.0.0"",""CFBundleIdentifier"":""edu.ucsf.cgl.ChimeraX""},
  ""storeInfo"" : {""deviceIdentifierForVendor"":""81823763-F42D-5626-9784-1E9E9F2AE57B"",""thirdParty"":true},
  ""parentProc"" : ""launchd"",
  ""parentPid"" : 1,
  ""coalitionName"" : ""edu.ucsf.cgl.ChimeraX"",
  ""crashReporterKey"" : ""90E39C74-BFE4-E0B0-E0AF-7936AEE17B24"",
  ""wakeTime"" : 139,
  ""bridgeVersion"" : {""build"":""20P4252"",""train"":""7.4""},
  ""sleepWakeUUID"" : ""C1B6D81F-02E2-4977-85EA-BABA2F607D37"",
  ""sip"" : ""enabled"",
  ""vmRegionInfo"" : ""0xa9 is not in any region.  Bytes before following region: 140737486434135\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      VM_ALLOCATE              7fffffe2b000-7fffffe2c000 [    4K] r-x\/r-x SM=ALI  "",
  ""isCorpse"" : 1,
  ""exception"" : {""codes"":""0x0000000000000001, 0x00000000000000a9"",""rawCodes"":[1,169],""type"":""EXC_BAD_ACCESS"",""signal"":""SIGSEGV"",""subtype"":""KERN_INVALID_ADDRESS at 0x00000000000000a9""},
  ""ktriageinfo"" : ""VM - Compressor failed a blocking pager_get\nVM - Compressor failed a blocking pager_get\nVM - Compressor failed a blocking pager_get\nVM - Compressor failed a blocking pager_get\nVM - Compressor failed a blocking pager_get\n"",
  ""vmregioninfo"" : ""0xa9 is not in any region.  Bytes before following region: 140737486434135\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      VM_ALLOCATE              7fffffe2b000-7fffffe2c000 [    4K] r-x\/r-x SM=ALI  "",
  ""extMods"" : {""caller"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""system"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""targeted"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""warnings"":0},
  ""faultingThread"" : 0,
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    ""uuid"" : ""49d915f7-1c6d-3bbd-b96f-064260e7d998"",
    ""path"" : ""\/Applications\/ChimeraX_Daily.app\/Contents\/Library\/Frameworks\/Python.framework\/Versions\/3.11\/lib\/python3.11\/site-packages\/PyQt6\/Qt6\/lib\/QtGui.framework\/Versions\/A\/QtGui"",
    ""name"" : ""QtGui""
  }
],
  ""sharedCache"" : {
  ""base"" : 140703559004160,
  ""size"" : 19331678208,
  ""uuid"" : ""e0be2d6e-28ef-33ab-8499-8d9d42337be7""
},
  ""vmSummary"" : ""ReadOnly portion of Libraries: Total=1.5G resident=0K(0%) swapped_out_or_unallocated=1.5G(100%)\nWritable regions: Total=6.2G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=6.2G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework              1536K       12 \nActivity Tracing                   256K        1 \nCG backing stores                 5280K       12 \nCG image                          1112K       79 \nColorSync                          232K       28 \nCoreAnimation                     5176K      155 \nCoreGraphics                        24K        5 \nCoreImage                           28K        7 \nCoreServices                       624K        2 \nCoreUI image data                 5340K       55 \nFoundation                          32K        2 \nKernel Alloc Once                    8K        1 \nMALLOC                             5.6G     2461 \nMALLOC guard page                   32K        8 \nMALLOC_LARGE (reserved)            384K        1         reserved VM address space (unallocated)\nMach message                        24K        4 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                        144K       36 \nStack                            339.3M       37 \nStack Guard                       56.0M        1 \nVM_ALLOCATE                      298.9M      268 \n__CTF                               756        1 \n__DATA                            47.0M      700 \n__DATA_CONST                      32.9M      352 \n__DATA_DIRTY                      1664K      220 \n__FONT_DATA                          4K        1 \n__GLSLBUILTINS                    5176K        1 \n__LINKEDIT                       678.3M      165 \n__TEXT                           820.1M      699 \n__UNICODE                          592K        1 \ndyld private memory               1184K        3 \nmapped file                      233.1M       61 \nshared memory                     3524K       31 \n===========                     =======  ======= \nTOTAL                              8.1G     5414 \nTOTAL, minus reserved VM space     8.1G     5414 \n"",
  ""legacyInfo"" : {
  ""threadTriggered"" : {
    ""name"" : ""CrBrowserMain""
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},
  ""trialInfo"" : {
  ""rollouts"" : [
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      ""factorPackIds"" : {

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    {
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      ""factorPackIds"" : {

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      ""deploymentId"" : 240000021
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  ""experiments"" : [
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}
}
===== Log before crash start =====
UCSF ChimeraX version: 1.7.dev202307312254 (2023-07-31)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-Box/McLellan
> Lab/Share/files-from-eliza/CCHFV M segment tetramer TULV fit.cxs""

Opened emd_11236.map as #4, grid size 108,108,108, pixel 4, shown at level
1.64, step 1, values float32  
Log from Sun Feb 19 21:51:52 2023

> set bgColor white

> cd

Current working directory is: /Users/elizabethmcfadden  

> cd Desktop

Current working directory is: /Users/elizabethmcfadden/Desktop  
UCSF ChimeraX version: 1.4 (2022-06-03)  
© 2016-2022 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/elizabethmcfadden/Desktop/GP38Gnfull_refine_1-coot-0.pdb

Chain information for GP38Gnfull_refine_1-coot-0.pdb #1  
---  
Chain | Description  
A C | No description available  
B | No description available  
D | No description available  
  

> open
> /Users/elizabethmcfadden/Desktop/GP38Gn_AlphaFold_AlignedToPhaser11-coot-3.pdb

Chain information for GP38Gn_AlphaFold_AlignedToPhaser11-coot-3.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> open /Users/elizabethmcfadden/Desktop/GP38Gnfull_refine_1-coot-0.pdb

Chain information for GP38Gnfull_refine_1-coot-0.pdb #3  
---  
Chain | Description  
A C | No description available  
B | No description available  
D | No description available  
  

> hide #!3 models

> hide #!2 models

> show #!2 models

> select #3/C:254-510

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> select #3/C:254-510

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> select add #3

4256 atoms, 4330 bonds, 9 pseudobonds, 536 residues, 2 models selected  

> select subtract #3

Nothing selected  

> select /C:254-510

5469 atoms, 5567 bonds, 12 pseudobonds, 681 residues, 6 models selected  

> select /C:254-510

5469 atoms, 5567 bonds, 12 pseudobonds, 681 residues, 6 models selected  

> select /A:254-510

5575 atoms, 5678 bonds, 9 pseudobonds, 693 residues, 6 models selected  

> select /B:540-587

964 atoms, 972 bonds, 2 pseudobonds, 128 residues, 5 models selected  

> select /D:540-580

856 atoms, 864 bonds, 1 pseudobond, 116 residues, 4 models selected  

> color sel orange

> select /D:540-580

856 atoms, 864 bonds, 1 pseudobond, 116 residues, 4 models selected  

> select /D:540-580

856 atoms, 864 bonds, 1 pseudobond, 116 residues, 4 models selected  

> select /D:540-580

856 atoms, 864 bonds, 1 pseudobond, 116 residues, 4 models selected  

> select /C:254-510

5469 atoms, 5567 bonds, 12 pseudobonds, 681 residues, 6 models selected  

> color sel blue

> dssp

> hide #!1 models

> show #!1 models

> hide #!1 models

> select add #2

8074 atoms, 8211 bonds, 14 pseudobonds, 1009 residues, 6 models selected  

> select add #3

10507 atoms, 10684 bonds, 19 pseudobonds, 1318 residues, 6 models selected  

> select subtract #2

6079 atoms, 6187 bonds, 13 pseudobonds, 763 residues, 4 models selected  

> select subtract #3

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> select add #1

4256 atoms, 4330 bonds, 9 pseudobonds, 536 residues, 2 models selected  

> select subtract #1

Nothing selected  

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> color #2 #00fdff transparency 0

> show #!2 models

> hide #!2 models

> show #!2 models

> open /Users/elizabethmcfadden/Desktop/EM27_correctNumbering.pdb

Chain information for EM27_correctNumbering.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> ui mousemode right select

Drag select of 24 residues  

> mmaker #4 to sele

> matchmaker #4 to sele

Invalid ""to"" argument: invalid atoms specifier  

> mmaker #4 to sel

Specify a single 'to' model only  

> select add #2

4519 atoms, 4497 bonds, 6 pseudobonds, 567 residues, 3 models selected  

> select subtract #2

91 atoms, 12 residues, 1 model selected  

> mmaker #4 to sel

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 GP38Gnfull_refine_1-coot-0.pdb, chain C (#1) with
EM27_correctNumbering.pdb, chain A (#4), sequence alignment score = 40.1  
RMSD between 10 pruned atom pairs is 0.786 angstroms; (across all 10 pairs:
0.786)  
  

> mmaker #4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker GP38Gnfull_refine_1-coot-0.pdb, chain A (#1) with
EM27_correctNumbering.pdb, chain A (#4), sequence alignment score = 1039.7  
RMSD between 224 pruned atom pairs is 0.564 angstroms; (across all 227 pairs:
0.803)  
  

> mmaker #4 to #1/A

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 GP38Gnfull_refine_1-coot-0.pdb, chain A (#1) with
EM27_correctNumbering.pdb, chain A (#4), sequence alignment score = 1039.7  
RMSD between 224 pruned atom pairs is 0.564 angstroms; (across all 227 pairs:
0.803)  
  

> mmaker #4 to #1/C

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 GP38Gnfull_refine_1-coot-0.pdb, chain C (#1) with
EM27_correctNumbering.pdb, chain A (#4), sequence alignment score = 1037.9  
RMSD between 224 pruned atom pairs is 0.683 angstroms; (across all 227 pairs:
0.895)  
  

> select clear

> hide #!2 models

> hide #4 models

> show #4 models

> dssp

[Repeated 1 time(s)]

> color #4 #90ee9055

> color #4 #90ee9093

> color #4 #90ee90d0

> color #4 #90ee90d1

> graphics silhouettes true

> select clear

> ui mousemode right zoom

> dssp

> ui tool show ""Side View""

> graphics silhouettes false

> graphics silhouettes true

> save /Users/elizabethmcfadden/Desktop/image34.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image35.png supersample 3

> show #!3 models

> hide #!1 models

> select #3/A:254-510

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> select #3/C:254-510

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> select #3/A:254-510

1823 atoms, 1857 bonds, 4 pseudobonds, 227 residues, 2 models selected  

> delete sel

> select #3/B:540-587

309 atoms, 311 bonds, 1 pseudobond, 41 residues, 2 models selected  

> delete sel

> hide #4 models

> hide #!3 models

> show #!3 models

> show #!1 models

> dssp

> close #1

> show #!2 models

Populating font family aliases took 362 ms. Replace uses of missing font
family "".AppleSystemUIFont"" with one that exists to avoid this cost.  

> save /Users/elizabethmcfadden/Desktop/EM27it2monomer.pdb models #3 relModel
> #2

> open /Users/elizabethmcfadden/Desktop/EM27it2monomer.pdb

Chain information for EM27it2monomer.pdb #1  
---  
Chain | Description  
C | No description available  
D | No description available  
  

> hide #!3 models

> show #!3 models

> hide #!2 models

> show #!2 models

> close

> open 6zjm format mmcif fromDatabase pdb

6zjm title:  
Atomic model of Andes virus glycoprotein spike tetramer generated by fitting
into a Tula virus reconstruction [more info...]  
  
Chain information for 6zjm #1  
---  
Chain | Description  
A B C D E F G H | Envelope polyprotein,Envelope polyprotein,Envelope
polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope
polyprotein,Envelope polyprotein,Envelope polyprotein,Envelope polyprotein  
  
Non-standard residues in 6zjm #1  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> hide atoms

> show cartoons

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV_Aug22_ElizaModel.pdb

Chain information for CCHFV_Aug22_ElizaModel.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> select add #2

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> ui mousemode right ""rotate selected models""

> ui mousemode right ""translate selected models""

> view matrix models #2,1,0,0,115.68,0,1,0,-34.596,0,0,1,159.72

> ui mousemode right zoom

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.30114,-0.49083,0.81756,112.65,0.19651,0.8709,0.45047,-32.321,-0.93311,0.025007,0.35872,152.05

> view matrix models
> #2,-0.86543,-0.29409,-0.40563,102.17,-0.49151,0.65539,0.57348,-36.733,0.097192,0.69568,-0.71174,156.8

> view matrix models
> #2,-0.89707,-0.43795,-0.058809,102.68,-0.36098,0.64954,0.66917,-35.647,-0.25486,0.62152,-0.74078,154.35

> view matrix models
> #2,-0.77677,-0.19694,-0.5982,102.37,-0.55132,0.67177,0.49474,-37.303,0.30442,0.7141,-0.63039,158.38

> view matrix models
> #2,-0.0085282,-0.83876,-0.54444,96.763,-0.99949,0.023868,-0.021114,-51.464,0.030704,0.54398,-0.83854,153.58

> select #2/B:520-842

2508 atoms, 2551 bonds, 323 residues, 1 model selected  

> select #2/D:1041-1684

5077 atoms, 5194 bonds, 644 residues, 1 model selected  

> select #2/C:843-1040

1535 atoms, 1561 bonds, 198 residues, 1 model selected  

> delete sel

> ui mousemode right select

Drag select of 218 residues  

> delete sel

> select #2/A:248-519

2162 atoms, 2201 bonds, 272 residues, 1 model selected  

> color sel blue

> select #2/B:520-842

1453 atoms, 1473 bonds, 1 pseudobond, 192 residues, 2 models selected  

> color sel orange

> select #2/D:1041-1684

4335 atoms, 4434 bonds, 1 pseudobond, 557 residues, 2 models selected  

> color sel yellow

> color sel goldenrod

> select #2/B:520-842

1453 atoms, 1473 bonds, 1 pseudobond, 192 residues, 2 models selected  

> select #2/D:1041-1684

4335 atoms, 4434 bonds, 1 pseudobond, 557 residues, 2 models selected  

> color sel medium sea green

> select #2/A:248-519

2162 atoms, 2201 bonds, 272 residues, 1 model selected  

> color sel dodger blue

> color sel royal blue

Drag select of 1020 residues, 2 pseudobonds  

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.0085282,-0.83876,-0.54444,137.63,-0.99949,0.023868,-0.021114,-14.862,0.030704,0.54398,-0.83854,184.41

> view matrix models
> #2,-0.0085282,-0.83876,-0.54444,167.53,-0.99949,0.023868,-0.021114,63.017,0.030704,0.54398,-0.83854,194.07

> view matrix models
> #2,-0.0085282,-0.83876,-0.54444,180.6,-0.99949,0.023868,-0.021114,78.583,0.030704,0.54398,-0.83854,207.82

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.71271,-0.41142,-0.56814,172.98,-0.09767,0.74385,-0.66117,53.529,0.69463,0.52671,0.48996,235.12

> view matrix models
> #2,-0.060633,-0.98434,-0.16555,190.74,-0.80673,-0.049346,0.58886,92.21,-0.58781,0.16926,-0.7911,215.05

> view matrix models
> #2,-0.83715,-0.54696,0.0032139,182.98,-0.3557,0.54887,0.75645,84.022,-0.41551,0.63212,-0.65404,208.43

> view matrix models
> #2,0.16345,-0.9831,0.0824,195.99,-0.98414,-0.15665,0.083229,84.373,-0.068915,-0.094698,-0.99312,217.94

> view matrix models
> #2,-0.23013,-0.55249,0.80112,199.78,-0.78164,-0.38546,-0.49037,78.684,0.57972,-0.73904,-0.34314,245.33

> view matrix models
> #2,-0.39571,-0.72166,0.568,198.46,-0.7277,-0.1309,-0.67329,70.017,0.56024,-0.67976,-0.47335,241.56

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.39571,-0.72166,0.568,215.15,-0.7277,-0.1309,-0.67329,86.414,0.56024,-0.67976,-0.47335,222.39

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.69968,0.27424,-0.65972,170.24,-0.22935,0.7883,0.57094,92.191,0.67664,0.55079,-0.48866,196.73

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.69968,0.27424,-0.65972,214.31,-0.22935,0.7883,0.57094,125.48,0.67664,0.55079,-0.48866,194

> view matrix models
> #2,-0.69968,0.27424,-0.65972,216.97,-0.22935,0.7883,0.57094,214.37,0.67664,0.55079,-0.48866,175

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.44709,-0.15111,-0.88163,222.2,-0.73522,0.62346,0.26598,210.77,0.50947,0.76711,-0.38984,171.97

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.44709,-0.15111,-0.88163,175.21,-0.73522,0.62346,0.26598,180.76,0.50947,0.76711,-0.38984,195.27

> view matrix models
> #2,-0.44709,-0.15111,-0.88163,170.43,-0.73522,0.62346,0.26598,199.18,0.50947,0.76711,-0.38984,201.33

> hide #!2 models

> show #!2 models

> select add #2

7950 atoms, 8108 bonds, 2 pseudobonds, 1021 residues, 2 models selected  

> select subtract #2

Nothing selected  

> hide #!1 models

> show #!1 models

> select add #2

7950 atoms, 8108 bonds, 2 pseudobonds, 1021 residues, 2 models selected  

> view matrix models
> #2,-0.44709,-0.15111,-0.88163,172.6,-0.73522,0.62346,0.26598,194.57,0.50947,0.76711,-0.38984,202.43

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.067165,-0.13241,-0.98892,171.07,-0.8998,0.43628,0.0026977,193.05,0.43109,0.89001,-0.14844,204.29

> view matrix models
> #2,0.091317,-0.42727,-0.8995,179.3,-0.97515,0.14473,-0.16775,195.7,0.20186,0.89247,-0.40343,198.82

> ui mousemode right ""translate selected models""

> view matrix models
> #2,0.091317,-0.42727,-0.8995,190,-0.97515,0.14473,-0.16775,198.39,0.20186,0.89247,-0.40343,191.73

> view matrix models
> #2,0.091317,-0.42727,-0.8995,191.1,-0.97515,0.14473,-0.16775,197.6,0.20186,0.89247,-0.40343,193.32

> view matrix models
> #2,0.091317,-0.42727,-0.8995,189.29,-0.97515,0.14473,-0.16775,200.79,0.20186,0.89247,-0.40343,187.09

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.68009,-0.6946,0.23453,217.91,-0.72868,-0.67562,0.11209,223.82,0.0806,-0.24713,-0.96562,199.83

> view matrix models
> #2,0.78079,-0.61492,0.11065,214.12,-0.60151,-0.7877,-0.13308,221.79,0.16899,0.03735,-0.98491,193.74

> flip #2

Unknown command: flip #2  

> view matrix models
> #2,0.10065,-0.71405,-0.69282,199.23,-0.87598,0.26657,-0.402,194.02,0.47173,0.64735,-0.59867,189.12

> view matrix models
> #2,0.78984,-0.4888,0.37045,216.47,-0.61271,-0.60207,0.51196,230.2,-0.027207,-0.63134,-0.77503,211.21

> view matrix models
> #2,0.90299,-0.40033,0.15603,210.81,-0.42754,-0.80122,0.41864,233.01,-0.042579,-0.44474,-0.89465,205

> view matrix models
> #2,0.92504,-0.3376,0.17414,209.9,-0.37793,-0.86421,0.33214,232.79,0.038364,-0.37306,-0.92701,203.09

> select subtract #2

Nothing selected  

> hide #!2 models

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV M segment AF pred.pse""

Unrecognized file suffix '.pse'  

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV M segment AF pred.pse""

Unrecognized file suffix '.pse'  

> show #!2 models

> close #2

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/AF M seg model initial.pdb""

Chain information for AF M seg model initial.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> mmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 6zjm, chain B (#1) with AF M seg model initial.pdb, chain D (#2),
sequence alignment score = 286.9  
RMSD between 52 pruned atom pairs is 1.304 angstroms; (across all 405 pairs:
19.945)  
  

> select add #2

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models
> #2,0.47686,0.60826,0.63452,187.32,0.84648,-0.12333,-0.51793,296.69,-0.23679,0.7841,-0.57369,131.42

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.07123,0.22145,0.97257,187.83,0.11033,-0.97081,0.21296,298.82,0.99134,0.092135,-0.093584,145.33

> view matrix models
> #2,0.020492,0.78522,-0.61887,163.04,0.47508,0.53701,0.69708,318.67,0.8797,-0.3083,-0.36204,137.51

> ui mousemode right zoom

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/AF M seg model initial.pdb""

Chain information for AF M seg model initial.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> select subtract #2

Nothing selected  

> mmaker #3 to #2

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 AF M seg model initial.pdb, chain D (#2) with AF M seg model
initial.pdb, chain D (#3), sequence alignment score = 3423.3  
RMSD between 644 pruned atom pairs is 0.000 angstroms; (across all 644 pairs:
0.000)  
  

> ui mousemode right ""rotate selected models""

> select add #3

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> view matrix models
> #3,-0.28734,-0.53932,-0.79156,150.09,0.39336,0.68706,-0.61091,296.19,0.87333,-0.48691,0.014719,142.98

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.28734,-0.53932,-0.79156,74.9,0.39336,0.68706,-0.61091,283.19,0.87333,-0.48691,0.014719,139.62

> view matrix models
> #3,-0.28734,-0.53932,-0.79156,103.7,0.39336,0.68706,-0.61091,314.72,0.87333,-0.48691,0.014719,126.45

> view matrix models
> #3,-0.28734,-0.53932,-0.79156,129.35,0.39336,0.68706,-0.61091,308.16,0.87333,-0.48691,0.014719,123.61

> view matrix models
> #3,-0.28734,-0.53932,-0.79156,131.93,0.39336,0.68706,-0.61091,293.65,0.87333,-0.48691,0.014719,126.9

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.15095,-0.7247,-0.67233,134,0.30497,0.6128,-0.72902,290.49,0.94032,-0.31508,0.12851,130.37

> view matrix models
> #3,-0.053988,-0.61284,-0.78836,133.38,0.31013,0.74018,-0.59662,293.56,0.94916,-0.27671,0.1501,131.04

> view matrix models
> #3,0.11395,-0.84014,-0.53026,137.86,0.35969,0.53241,-0.76626,289.81,0.92609,-0.10342,0.36285,135.54

> view matrix models
> #3,0.010109,-0.90921,-0.41621,138.64,0.80592,0.25381,-0.53486,295.7,0.59194,-0.33003,0.73532,138.12

> view matrix models
> #3,-0.1629,-0.62182,-0.76603,132.87,0.77204,0.40309,-0.49139,297.04,0.61434,-0.67146,0.41441,130.77

> view matrix models
> #3,-0.23888,-0.44633,-0.86239,131.61,0.79381,0.42175,-0.43816,298.24,0.55928,-0.78925,0.25355,126.88

> view matrix models
> #3,-0.32558,-0.38467,-0.86373,131.27,0.64578,0.57678,-0.50029,296.9,0.69063,-0.72066,0.060621,124.94

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.32558,-0.38467,-0.86373,134.7,0.64578,0.57678,-0.50029,299.8,0.69063,-0.72066,0.060621,140.25

> view matrix models
> #3,-0.32558,-0.38467,-0.86373,136.23,0.64578,0.57678,-0.50029,292.67,0.69063,-0.72066,0.060621,146.39

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,-0.22363,-0.45994,-0.85933,136.66,0.724,0.51189,-0.46238,293.56,0.65255,-0.72556,0.21852,148.8

> open /Users/elizabethmcfadden/Downloads/emd_11236.map

Opened emd_11236.map as #4, grid size 108,108,108, pixel 4, shown at level
3.17, step 1, values float32  

> view matrix models
> #3,-0.40512,-0.26166,0.87602,166.5,0.62429,-0.77918,0.055968,294.41,0.66794,0.56957,0.47901,160.84

> undo

> ui mousemode right zoom

> surface dust #4 size 40

> volume #4 level 1.643

> hide #!4 models

> hide #!1 models

> show #!4 models

> hide #!4 models

> show #!1 models

> show #!4 models

> vop flip #4

Opened emd_11236.map z flip as #5, grid size 108,108,108, pixel 4, shown at
step 1, values float32  

> hide #!5 models

> hide #!1 models

> ui mousemode right select

Drag select of 572 residues  

> select clear

Drag select of 602 residues  

> delete sel

> show #!5 models

> color #3 #dda0dd72

> color #3 #dda0dd73

> ui mousemode right zoom

> color #5 #b2b2b29a models

> color #5 #b2b2b299 models

> graphics silhouettes false

> select add #3

9086 atoms, 9270 bonds, 3 pseudobonds, 1162 residues, 2 models selected  

> ui mousemode right ""translate selected models""

> view matrix models
> #3,-0.22363,-0.45994,-0.85933,172.94,0.724,0.51189,-0.46238,207.46,0.65255,-0.72556,0.21852,161.8

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.3421,-0.0060564,0.93964,175.9,0.6365,0.73712,-0.22698,208.33,-0.69126,0.67573,0.25602,165.89

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.3421,-0.0060564,0.93964,175.43,0.6365,0.73712,-0.22698,178.42,-0.69126,0.67573,0.25602,180.9

> view matrix models
> #3,0.3421,-0.0060564,0.93964,169.64,0.6365,0.73712,-0.22698,178.41,-0.69126,0.67573,0.25602,190.05

> view matrix models
> #3,0.3421,-0.0060564,0.93964,184.75,0.6365,0.73712,-0.22698,196.55,-0.69126,0.67573,0.25602,196.4

> view matrix models
> #3,0.3421,-0.0060564,0.93964,161.32,0.6365,0.73712,-0.22698,237.17,-0.69126,0.67573,0.25602,198.1

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.43326,-0.9007,-0.031923,158.74,0.15157,0.037902,0.98772,243.29,-0.88843,-0.43278,0.15294,199.43

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.43326,-0.9007,-0.031923,165.9,0.15157,0.037902,0.98772,200.66,-0.88843,-0.43278,0.15294,200.63

> view matrix models
> #3,0.43326,-0.9007,-0.031923,177.42,0.15157,0.037902,0.98772,185.59,-0.88843,-0.43278,0.15294,194.02

> view matrix models
> #3,0.43326,-0.9007,-0.031923,191.81,0.15157,0.037902,0.98772,183.63,-0.88843,-0.43278,0.15294,197.45

> ui tool show ""Fit in Map""

> fitmap #3 inMap #4

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map (#4) using
9086 atoms  
average map value = 1.916, steps = 84  
shifted from previous position = 26.4  
rotated from previous position = 18.5 degrees  
atoms outside contour = 3660, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.36084992 -0.92764312 -0.09625775 203.34198068  
0.45013327 0.08284089 0.88911046 166.87170247  
-0.81680314 -0.36416426 0.44745616 214.67931818  
Axis -0.62756756 0.36080749 0.68991080  
Axis point 104.77130314 201.61490720 0.00000000  
Rotation angle (degrees) 93.11995119  
Shift along axis 80.70731005  
  

> hide #!5 models

> ui mousemode right select

Drag select of 111 residues, 3 pseudobonds  

> delete sel

Drag select of 79 residues, 5 pseudobonds  

> delete sel

Drag select of 1 pseudobonds  

> delete sel

> fitmap #3 inMap #4

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map (#4) using
7578 atoms  
average map value = 1.991, steps = 68  
shifted from previous position = 3.12  
rotated from previous position = 4.39 degrees  
atoms outside contour = 2972, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.36124293 -0.91754498 -0.16617681 203.05397038  
0.49568484 0.03801008 0.86767030 163.75988984  
-0.78981015 -0.39581109 0.46854402 214.65670452  
Axis -0.63312541 0.31250014 0.70816374  
Axis point 104.67727465 199.92457420 0.00000000  
Rotation angle (degrees) 93.79009988  
Shift along axis 74.62845463  
  

> show #!5 models

> select add #3

7578 atoms, 7722 bonds, 6 pseudobonds, 972 residues, 2 models selected  

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.36124,-0.91754,-0.16618,200.57,0.49568,0.03801,0.86767,199.62,-0.78981,-0.39581,0.46854,222.69

> fitmap #3 inMap #4

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map (#4) using
7578 atoms  
average map value = 1.991, steps = 104  
shifted from previous position = 36.8  
rotated from previous position = 0.0292 degrees  
atoms outside contour = 2972, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.36147325 -0.91746007 -0.16614478 203.06189213  
0.49527979 0.03796651 0.86790349 163.77335921  
-0.78995887 -0.39601205 0.46812331 214.63244902  
Axis -0.63334787 0.31259314 0.70792372  
Axis point 104.69122698 199.91772792 0.00000000  
Rotation angle (degrees) 93.79681679  
Shift along axis 74.52901341  
  

> ui mousemode right zoom

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.56654,-0.79479,-0.21758,200.36,0.14878,-0.16105,0.97567,168.26,-0.81049,-0.58513,0.027009,216.62

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.56654,-0.79479,-0.21758,185.78,0.14878,-0.16105,0.97567,192.42,-0.81049,-0.58513,0.027009,215.96

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.32845,-0.94375,0.038147,188.23,0.032007,0.051486,0.99816,193.75,-0.94398,-0.32663,0.047117,217.49

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.32845,-0.94375,0.038147,201.68,0.032007,0.051486,0.99816,188.72,-0.94398,-0.32663,0.047117,215.39

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.49468,-0.82357,0.27753,198.48,0.080972,0.36163,0.9288,188.05,-0.86529,-0.43699,0.24558,213.71

> view matrix models
> #3,0.14262,-0.95766,0.2501,203.46,0.077275,0.26269,0.96178,188.06,-0.98676,-0.11784,0.11147,215.57

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.14262,-0.95766,0.2501,230.8,0.077275,0.26269,0.96178,181.14,-0.98676,-0.11784,0.11147,221.66

> fitmap #3 inMap #4

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map (#4) using
7578 atoms  
average map value = 2.117, steps = 128  
shifted from previous position = 16.6  
rotated from previous position = 28.5 degrees  
atoms outside contour = 2838, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.06182642 -0.99808666 -0.00070650 250.38182354  
-0.30960574 -0.01985144 0.95065777 187.03044887  
-0.94885287 -0.05855703 -0.31024070 226.81587135  
Axis -0.65260175 0.61311227 0.44520141  
Axis point 0.00000000 284.92452176 142.62253832  
Rotation angle (degrees) 129.35570039  
Shift along axis 52.24979266  
  

> view matrix models
> #3,0.061826,-0.99809,-0.0007065,252.13,-0.30961,-0.019851,0.95066,185.32,-0.94885,-0.058557,-0.31024,228.01

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.35847,-0.81577,0.4539,246.36,-0.70876,0.078634,0.70106,191.53,-0.60759,-0.57301,-0.54999,224.64

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.35847,-0.81577,0.4539,226.23,-0.70876,0.078634,0.70106,196.54,-0.60759,-0.57301,-0.54999,210.89

> fitmap #3 inMap #4

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map (#4) using
7578 atoms  
average map value = 1.723, steps = 84  
shifted from previous position = 23.2  
rotated from previous position = 15.5 degrees  
atoms outside contour = 3099, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.17864953 -0.91878647 0.35201669 218.55785109  
-0.80785039 0.06725917 0.58553731 179.45899738  
-0.56166012 -0.38898278 -0.73022619 203.98725765  
Axis -0.72701060 0.68162034 0.08276044  
Axis point 0.00000000 246.58833754 63.40101698  
Rotation angle (degrees) 137.91563434  
Shift along axis -19.68889648  
  

> view matrix models
> #3,0.17865,-0.91879,0.35202,202.36,-0.80785,0.067259,0.58554,224.16,-0.56166,-0.38898,-0.73023,204.33

> fitmap #3 inMap #5

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map z flip (#5)
using 7578 atoms  
average map value = 2.023, steps = 252  
shifted from previous position = 27.6  
rotated from previous position = 59.9 degrees  
atoms outside contour = 2994, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
0.75460980 -0.15649053 0.63723995 187.40333445  
-0.65614835 -0.17140880 0.73490703 194.83073178  
-0.00577746 -0.97269200 -0.23202777 194.69232327  
Axis -0.90261721 0.33989160 -0.26411338  
Axis point 0.00000000 193.59830832 -27.90999850  
Rotation angle (degrees) 108.93003920  
Shift along axis -154.35299139  
  

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.43718,-0.88408,0.16515,193.96,-0.45398,-0.05841,0.88909,191.45,-0.77639,-0.46367,-0.42689,205.42

> view matrix models
> #3,0.49284,-0.81627,0.30134,192.67,-0.19127,0.23621,0.95269,187.43,-0.84883,-0.52717,-0.039715,205.1

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.49284,-0.81627,0.30134,184.81,-0.19127,0.23621,0.95269,190.18,-0.84883,-0.52717,-0.039715,212.46

> fitmap #3 inMap #5

Fit molecule AF M seg model initial.pdb (#3) to map emd_11236.map z flip (#5)
using 7578 atoms  
average map value = 2.025, steps = 180  
shifted from previous position = 18.6  
rotated from previous position = 30.3 degrees  
atoms outside contour = 3143, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#3) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
0.85667010 -0.44218458 0.26568609 171.52304663  
-0.18387923 0.21945582 0.95813754 193.07805358  
-0.48198002 -0.86966195 0.10669268 225.07733827  
Axis -0.91774197 0.37540473 0.12969566  
Axis point 0.00000000 270.33408911 -3.12625854  
Rotation angle (degrees) 84.75531174  
Shift along axis -55.73993137  
  

> ui mousemode right ""rotate selected models""

> view matrix models
> #3,0.83719,-0.50821,0.20209,172.06,0.037954,0.4226,0.90552,190.09,-0.5456,-0.75042,0.37309,224.91

> ui mousemode right ""translate selected models""

> view matrix models
> #3,0.83719,-0.50821,0.20209,180.61,0.037954,0.4226,0.90552,190.38,-0.5456,-0.75042,0.37309,217.89

> hide #!5 models

> show #!5 models

> select add #2

16227 atoms, 16540 bonds, 10 pseudobonds, 2082 residues, 4 models selected  

> select subtract #3

8649 atoms, 8818 bonds, 4 pseudobonds, 1110 residues, 2 models selected  

> view matrix models
> #2,0.020492,0.78522,-0.61887,155.66,0.47508,0.53701,0.69708,269.5,0.8797,-0.3083,-0.36204,153.25

> color #5 #b2b2b25c models

[Repeated 1 time(s)]

> view matrix models
> #2,0.020492,0.78522,-0.61887,157,0.47508,0.53701,0.69708,233.89,0.8797,-0.3083,-0.36204,183.5

> view matrix models
> #2,0.020492,0.78522,-0.61887,185.11,0.47508,0.53701,0.69708,222.87,0.8797,-0.3083,-0.36204,192.29

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.27655,0.15079,-0.94909,187.13,0.84083,0.51617,-0.163,222.47,0.46532,-0.84311,-0.26954,194.2

> hide #!5 models

> hide #!3 models

> ui mousemode right select

Drag select of 129 residues, 4 pseudobonds  

> delete sel

> select add #2

7663 atoms, 7811 bonds, 2 pseudobonds, 981 residues, 2 models selected  

> select subtract #2

Nothing selected  

> show #!5 models

> select add #2

7663 atoms, 7811 bonds, 2 pseudobonds, 981 residues, 2 models selected  

> show #!3 models

> color #3 plum transparency 0

Drag select of 57 residues, 5 emd_11236.map z flip  

> select add #2

7879 atoms, 7811 bonds, 2 pseudobonds, 1008 residues, 5 models selected  

> select add #3

15241 atoms, 15533 bonds, 8 pseudobonds, 1953 residues, 6 models selected  

> select subtract #3

7663 atoms, 7811 bonds, 2 pseudobonds, 981 residues, 4 models selected  

> select add #5

7663 atoms, 7811 bonds, 2 pseudobonds, 981 residues, 5 models selected  

> select subtract #5

7663 atoms, 7811 bonds, 2 pseudobonds, 981 residues, 2 models selected  

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.27655,0.15079,-0.94909,244.22,0.84083,0.51617,-0.163,218.77,0.46532,-0.84311,-0.26954,209.22

> view matrix models
> #2,-0.27655,0.15079,-0.94909,215.29,0.84083,0.51617,-0.163,232.43,0.46532,-0.84311,-0.26954,220.88

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.14673,0.14928,0.97785,206.9,-0.6217,0.78282,-0.026214,237.3,-0.76939,-0.60408,0.20767,223.7

> view matrix models
> #2,0.041789,0.29347,0.95505,207.27,-0.3301,0.90627,-0.26404,236.92,-0.94302,-0.30423,0.13475,224.38

> ui mousemode right ""translate selected models""

> view matrix models
> #2,0.041789,0.29347,0.95505,184.27,-0.3301,0.90627,-0.26404,233.45,-0.94302,-0.30423,0.13475,211.61

> view matrix models
> #2,0.041789,0.29347,0.95505,182.95,-0.3301,0.90627,-0.26404,234.37,-0.94302,-0.30423,0.13475,213.96

> fitmap #2 inMap #5

Fit molecule AF M seg model initial.pdb (#2) to map emd_11236.map z flip (#5)
using 7663 atoms  
average map value = 2.119, steps = 88  
shifted from previous position = 30.4  
rotated from previous position = 26.1 degrees  
atoms outside contour = 2624, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#2) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
-0.18281158 0.62104949 0.76215317 190.35451193  
-0.39077409 0.66544968 -0.63598139 209.44194322  
-0.90215050 -0.41409448 0.12103813 213.73040806  
Axis 0.11318806 0.84898785 -0.51614735  
Axis point 206.33062313 0.00000000 83.67656769  
Rotation angle (degrees) 101.42949161  
Shift along axis 89.04313862  
  

> view matrix models
> #2,-0.18281,0.62105,0.76215,175.7,-0.39077,0.66545,-0.63598,225.01,-0.90215,-0.41409,0.12104,223.9

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.11874,-0.50542,0.85466,176.04,-0.29446,0.83995,0.45582,220.66,-0.94826,-0.19754,-0.24856,225.2

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.11874,-0.50542,0.85466,187.74,-0.29446,0.83995,0.45582,244.21,-0.94826,-0.19754,-0.24856,233.75

> fitmap #2 inMap #5

Fit molecule AF M seg model initial.pdb (#2) to map emd_11236.map z flip (#5)
using 7663 atoms  
average map value = 2.035, steps = 140  
shifted from previous position = 11.2  
rotated from previous position = 50.1 degrees  
atoms outside contour = 2923, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#2) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
-0.23330942 -0.96024842 0.15326344 187.73898147  
-0.37088922 0.23357372 0.89882396 249.32081285  
-0.89889260 0.15286034 -0.41064076 234.48496433  
Axis -0.52605248 0.74197894 0.41561527  
Axis point 226.56307687 -0.00000000 -32.26442725  
Rotation angle (degrees) 134.84475207  
Shift along axis 183.68576516  
  

> view matrix models
> #2,-0.23331,-0.96025,0.15326,187.19,-0.37089,0.23357,0.89882,243.63,-0.89889,0.15286,-0.41064,233.7

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.066203,-0.35724,0.93166,183.33,-0.51868,0.80997,0.27372,245.92,-0.8524,-0.46511,-0.23892,233.42

> view matrix models
> #2,-0.11123,-0.12312,0.98614,183.12,-0.71808,0.69593,0.0058929,247.72,-0.68701,-0.70747,-0.16582,232.73

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.11123,-0.12312,0.98614,193.6,-0.71808,0.69593,0.0058929,247.46,-0.68701,-0.70747,-0.16582,235.33

> view matrix models
> #2,-0.11123,-0.12312,0.98614,191.49,-0.71808,0.69593,0.0058929,248,-0.68701,-0.70747,-0.16582,235.08

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,-0.33619,-0.044863,0.94072,192.44,-0.57352,0.80205,-0.16671,247.97,-0.74703,-0.59557,-0.29537,235.67

> ui mousemode right ""translate selected models""

> view matrix models
> #2,-0.33619,-0.044863,0.94072,191.02,-0.57352,0.80205,-0.16671,235.69,-0.74703,-0.59557,-0.29537,227.61

> view matrix models
> #2,-0.33619,-0.044863,0.94072,197.5,-0.57352,0.80205,-0.16671,243.21,-0.74703,-0.59557,-0.29537,219.39

> ui mousemode right zoom

> ui mousemode right ""rotate selected models""

> view matrix models
> #2,0.037375,0.25376,0.96654,195.75,-0.73954,0.65753,-0.14403,243.88,-0.67208,-0.70941,0.21224,217.41

> fitmap #2 inMap #5

Fit molecule AF M seg model initial.pdb (#2) to map emd_11236.map z flip (#5)
using 7663 atoms  
average map value = 2.09, steps = 64  
shifted from previous position = 15  
rotated from previous position = 11.9 degrees  
atoms outside contour = 2968, contour level = 1.6431  
  
Position of AF M seg model initial.pdb (#2) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
-0.11766915 0.13355516 0.98403102 190.68164000  
-0.78113367 0.59940733 -0.17476003 257.08417417  
-0.61317550 -0.78922360 0.03379268 223.94674463  
Axis -0.31666272 0.82311756 -0.47138328  
Axis point 261.25212490 0.00000000 88.26116215  
Rotation angle (degrees) 104.01846362  
Shift along axis 45.66398165  
  

> select add #3

15241 atoms, 15533 bonds, 8 pseudobonds, 1953 residues, 4 models selected  

> select subtract #2

7578 atoms, 7722 bonds, 6 pseudobonds, 972 residues, 2 models selected  

> view matrix models
> #3,0.83697,-0.51937,0.17243,180.73,-0.28878,-0.15152,0.94533,195.14,-0.46485,-0.84101,-0.2768,219.16

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV_Aug22_ElizaModel.pdb

Chain information for CCHFV_Aug22_ElizaModel.pdb #6  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> select subtract #3

Nothing selected  

> hide #!2 models

> hide #!3 models

> color #6 #00f900 transparency 0

> ui mousemode right ""translate selected models""

> ui mousemode right zoom

> ui mousemode right ""translate selected models""

> select add #6

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> view matrix models #6,1,0,0,90.393,0,1,0,274.36,0,0,1,10.448

> view matrix models #6,1,0,0,128.07,0,1,0,216.52,0,0,1,229.05

> ui mousemode right zoom

> hide #!5 models

> ui mousemode right select

Drag select of 275 residues  

> select clear

Drag select of 365 residues  

> delete sel

> show #!5 models

> select add #6

8352 atoms, 8515 bonds, 2 pseudobonds, 1072 residues, 2 models selected  

> ui mousemode right ""translate selected models""

> view matrix models #6,1,0,0,154.64,0,1,0,200.05,0,0,1,201.58

> select subtract #6

Nothing selected  

> select add #6

8352 atoms, 8515 bonds, 2 pseudobonds, 1072 residues, 2 models selected  

> view matrix models #6,1,0,0,172.9,0,1,0,184.99,0,0,1,184.16

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.89841,0.21633,0.38219,174.89,-0.42446,0.65104,0.62926,203.48,-0.11269,-0.72756,0.67673,194.22

> ui mousemode right ""translate selected models""

> view matrix models
> #6,0.89841,0.21633,0.38219,171.59,-0.42446,0.65104,0.62926,193.89,-0.11269,-0.72756,0.67673,215.78

> fitmap #6 inMap #5

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map z flip (#5)
using 8352 atoms  
average map value = 2.11, steps = 112  
shifted from previous position = 25.6  
rotated from previous position = 22.8 degrees  
atoms outside contour = 3309, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
0.96240685 0.23069858 0.14335700 184.32166451  
-0.23538390 0.44504892 0.86401730 220.09002769  
0.13552669 -0.86528009 0.48262086 213.90991403  
Axis -0.96553607 0.00437197 -0.26023254  
Axis point 0.00000000 238.61388014 -102.64636975  
Rotation angle (degrees) 63.57421013  
Shift along axis -232.67330891  
  

> hide #!5 models

> show #!5 models

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.60483,0.78547,-0.13119,165.16,-0.77714,0.61814,0.11813,200.01,0.17388,0.030503,0.98429,203.16

> ui mousemode right ""translate selected models""

> view matrix models
> #6,0.60483,0.78547,-0.13119,151.12,-0.77714,0.61814,0.11813,193.09,0.17388,0.030503,0.98429,215.69

> fitmap #6 inMap #5

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map z flip (#5)
using 8352 atoms  
average map value = 2.356, steps = 116  
shifted from previous position = 10.3  
rotated from previous position = 46.5 degrees  
atoms outside contour = 2876, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
0.03871167 0.74909756 -0.66132765 149.06555496  
-0.96412247 0.20193891 0.17230363 202.79374955  
0.26262001 0.63093068 0.73003919 207.77289065  
Axis 0.22933815 -0.46202344 -0.85670202  
Axis point 155.86535060 -71.69129562 0.00000000  
Rotation angle (degrees) 90.83970622  
Shift along axis -237.50850214  
  

> hide #!5 models

> show #!5 models

> view matrix models
> #6,0.038712,0.7491,-0.66133,145.88,-0.96412,0.20194,0.1723,199.87,0.26262,0.63093,0.73004,211.14

> fitmap #6 inMap #5

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map z flip (#5)
using 8352 atoms  
average map value = 2.357, steps = 64  
shifted from previous position = 5.46  
rotated from previous position = 0.0612 degrees  
atoms outside contour = 2879, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map z flip
(#5) coordinates:  
Matrix rotation and translation  
0.03917027 0.74860077 -0.66186296 149.00186620  
-0.96393222 0.20281165 0.17234303 202.77327115  
0.26324965 0.63124031 0.72954459 207.73006428  
Axis 0.22947189 -0.46260319 -0.85635328  
Axis point 155.81017100 -71.86058458 0.00000000  
Rotation angle (degrees) 90.81573288  
Shift along axis -237.50214340  
  

> hide #!5 models

> select #6/D:1041-1684

4320 atoms, 4419 bonds, 555 residues, 1 model selected  

> select #6/C:843-1040

522 atoms, 530 bonds, 1 pseudobond, 66 residues, 2 models selected  

> color #6 #009051 transparency 0

> select #6/C:843-1040

522 atoms, 530 bonds, 1 pseudobond, 66 residues, 2 models selected  

> delete sel

> show #!5 models

> show #!4 models

> hide #!5 models

> color #4 #b2b2b29c models

[Repeated 1 time(s)]

> ui mousemode right zoom

> select add #6

7830 atoms, 7985 bonds, 1 pseudobond, 1006 residues, 2 models selected  

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.45211,-0.8917,-0.021539,199.68,-0.82999,-0.42942,0.35597,221.04,-0.32667,-0.14306,-0.93425,192.26

> fitmap #6 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map (#4) using
7830 atoms  
average map value = 1.65, steps = 80  
shifted from previous position = 15  
rotated from previous position = 15.9 degrees  
atoms outside contour = 3500, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.31800553 -0.93968131 -0.12598234 213.17268104  
-0.92872531 -0.33546687 0.15789643 212.93764965  
-0.19063523 0.06679105 -0.97938613 188.66779487  
Axis -0.81162413 0.57596870 0.09760287  
Axis point 0.00000000 185.42599442 103.14895652  
Rotation angle (degrees) 176.78256342  
Shift along axis -31.95615305  
  

> ui mousemode right ""translate selected models""

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.35154,-0.93161,0.092333,217.23,-0.77936,-0.23659,0.5802,219.09,-0.51867,-0.27592,-0.80923,198.96

> ui mousemode right ""translate selected models""

> view matrix models
> #6,0.35154,-0.93161,0.092333,199.13,-0.77936,-0.23659,0.5802,206.9,-0.51867,-0.27592,-0.80923,190.61

> fitmap #6 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map (#4) using
7830 atoms  
average map value = 1.65, steps = 100  
shifted from previous position = 24.1  
rotated from previous position = 29.4 degrees  
atoms outside contour = 3498, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.31811184 -0.93971476 -0.12546335 213.14117612  
-0.92883227 -0.33543416 0.15733581 212.89047270  
-0.18993548 0.06648402 -0.97954296 188.70664455  
Axis -0.81165784 0.57598551 0.09722270  
Axis point 0.00000000 185.38135074 103.12760720  
Rotation angle (degrees) 176.79166197  
Shift along axis -32.02930970  
  

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,-0.51548,-0.53649,-0.66818,191.58,-0.84676,0.43854,0.30113,198.15,0.13147,0.72101,-0.68034,180.24

> ui mousemode right ""translate selected models""

> view matrix models
> #6,-0.51548,-0.53649,-0.66818,169.61,-0.84676,0.43854,0.30113,214.23,0.13147,0.72101,-0.68034,190.53

> fitmap #6 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#6) to map emd_11236.map (#4) using
7830 atoms  
average map value = 2.479, steps = 84  
shifted from previous position = 13.6  
rotated from previous position = 10.9 degrees  
atoms outside contour = 2632, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#6) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
-0.63412679 -0.48858253 -0.59930822 173.37299866  
-0.74460858 0.59477890 0.30297878 201.88198569  
0.20842573 0.63837700 -0.74096797 199.21250742  
Axis 0.36804198 -0.88634937 -0.28094464  
Axis point 108.04686650 0.00000000 99.75108130  
Rotation angle (degrees) 152.89309897  
Shift along axis -171.09711578  
  

> ui mousemode right zoom

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV_Aug22_ElizaModel.pdb

Chain information for CCHFV_Aug22_ElizaModel.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> close #5

> select subtract #6

Nothing selected  

> select add #7

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models #7,1,0,0,16.56,0,1,0,220.82,0,0,1,69.226

> ui mousemode right select

> ui mousemode right zoom

> ui mousemode right select

Drag select of 314 residues  

> delete sel

> ui mousemode right zoom

> select add #7

8759 atoms, 8934 bonds, 2 pseudobonds, 1123 residues, 2 models selected  

> ui mousemode right ""translate selected models""

> view matrix models #7,1,0,0,159.63,0,1,0,108.64,0,0,1,346.98

> ui mousemode right ""rotate selected models""

> view matrix models
> #7,0.54127,-0.83183,-0.12278,170.55,-0.83422,-0.54955,0.045567,134.02,-0.10538,0.077764,-0.99139,309.13

> view matrix models
> #7,0.76291,-0.61642,-0.1949,166.2,-0.64649,-0.72896,-0.22509,132.95,-0.0033204,0.29773,-0.95465,306.25

> ui mousemode right ""translate selected models""

> view matrix models
> #7,0.76291,-0.61642,-0.1949,226.82,-0.64649,-0.72896,-0.22509,104.34,-0.0033204,0.29773,-0.95465,250.41

> view matrix models
> #7,0.76291,-0.61642,-0.1949,287.09,-0.64649,-0.72896,-0.22509,171.06,-0.0033204,0.29773,-0.95465,222.36

> view matrix models
> #7,0.76291,-0.61642,-0.1949,238.47,-0.64649,-0.72896,-0.22509,178.08,-0.0033204,0.29773,-0.95465,202.94

> fitmap #7 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#7) to map emd_11236.map (#4) using
8759 atoms  
average map value = 2.241, steps = 168  
shifted from previous position = 8.09  
rotated from previous position = 23.1 degrees  
atoms outside contour = 3237, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#7) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.78611752 -0.54465327 -0.29218491 229.20531396  
-0.60121165 -0.56415002 -0.56593222 174.06590672  
0.14340072 0.62055422 -0.77094012 200.02801154  
Axis 0.93779953 -0.34428711 -0.04470377  
Axis point 0.00000000 89.84592996 148.12048949  
Rotation angle (degrees) 140.75848340  
Shift along axis 146.07798036  
  

> ui mousemode right zoom

> select subtract #7

Nothing selected  

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV_Aug22_ElizaModel.pdb

Chain information for CCHFV_Aug22_ElizaModel.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/CCHFV_Aug22_ElizaModel.pdb

Chain information for CCHFV_Aug22_ElizaModel.pdb #8  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> select add #8

11282 atoms, 11507 bonds, 1437 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models #8,1,0,0,343.04,0,1,0,221.47,0,0,1,317.04

> ui mousemode right zoom

> hide #!4 models

> ui mousemode right select

Drag select of 327 residues  

> delete sel

> select clear

Drag select of 42 residues, 2 pseudobonds  

> select clear

[Repeated 1 time(s)]Drag select of 39 residues, 2 pseudobonds  

> delete sel

> ui mousemode right zoom

> ui mousemode right select

> select clear

[Repeated 1 time(s)]Drag select of 312 residues  

> delete sel

> show #!4 models

> ui mousemode right ""translate selected models""

> select add #8

8341 atoms, 8503 bonds, 3 pseudobonds, 1071 residues, 2 models selected  

> view matrix models #8,1,0,0,326.4,0,1,0,270.93,0,0,1,350.56

> view matrix models #8,1,0,0,187.54,0,1,0,303.43,0,0,1,267.81

> view matrix models #8,1,0,0,209.45,0,1,0,209.15,0,0,1,252.09

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,-0.65889,0.27357,-0.70073,184.04,0.64093,0.69182,-0.33256,212.08,0.3938,-0.66824,-0.63117,237.61

> view matrix models
> #8,-0.78791,0.52804,-0.31681,185.1,0.61352,0.71721,-0.33044,211.44,0.052736,-0.45473,-0.88907,226.62

> ui mousemode right ""translate selected models""

> view matrix models
> #8,-0.78791,0.52804,-0.31681,242.86,0.61352,0.71721,-0.33044,209.47,0.052736,-0.45473,-0.88907,177

> fitmap #7 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#7) to map emd_11236.map (#4) using
8759 atoms  
average map value = 2.241, steps = 96  
shifted from previous position = 0.047  
rotated from previous position = 0.167 degrees  
atoms outside contour = 3234, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#7) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.78483392 -0.54603992 -0.29304624 229.20699772  
-0.60251979 -0.56176586 -0.56691181 174.06081172  
0.14493311 0.62149779 -0.76989276 200.04425210  
Axis 0.93737461 -0.34546231 -0.04454928  
Axis point 0.00000000 89.88679752 148.26005981  
Rotation angle (degrees) 140.66131243  
Shift along axis 145.80954288  
  

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 1.532, steps = 120  
shifted from previous position = 21.7  
rotated from previous position = 29.8 degrees  
atoms outside contour = 3836, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
-0.85784858 0.07085563 -0.50899437 240.54068673  
0.29502444 0.87887647 -0.37488226 186.01699568  
0.42078066 -0.47175799 -0.77484709 184.48505089  
Axis -0.10077464 -0.96719518 0.23319081  
Axis point 81.18158846 0.00000000 144.36166238  
Rotation angle (degrees) 151.27178864  
Shift along axis -161.13492339  
  

> view matrix models
> #8,-0.85785,0.070856,-0.50899,211.78,0.29502,0.87888,-0.37488,229.48,0.42078,-0.47176,-0.77485,198.13

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,-0.95416,0.088385,-0.28594,215.29,0.29882,0.33441,-0.8938,232.02,0.016624,-0.93827,-0.3455,215.57

> ui mousemode right ""translate selected models""

> view matrix models
> #8,-0.95416,0.088385,-0.28594,232.89,0.29882,0.33441,-0.8938,207.12,0.016624,-0.93827,-0.3455,206.82

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 1.271, steps = 116  
shifted from previous position = 16.8  
rotated from previous position = 21.2 degrees  
atoms outside contour = 4170, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
-0.98063421 -0.04396766 -0.19084902 242.71299918  
0.19048582 0.01234642 -0.98161229 216.42849120  
0.04551550 -0.99895664 -0.00373210 200.14065861  
Axis -0.05202690 -0.70900955 0.70327709  
Axis point 100.51566667 0.00000000 221.69746271  
Rotation angle (degrees) 170.40478406  
Shift along axis -25.32313180  
  

> view matrix models
> #8,-0.98063,-0.043968,-0.19085,230.4,0.19049,0.012346,-0.98161,211.1,0.045515,-0.99896,-0.0037321,220.86

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 1.972, steps = 124  
shifted from previous position = 29.5  
rotated from previous position = 38.4 degrees  
atoms outside contour = 3301, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
-0.91608332 0.34416198 -0.20577619 239.79328581  
0.36251326 0.49147577 -0.79185584 200.56693012  
-0.17139266 -0.80000254 -0.57499604 230.32838942  
Axis -0.20460530 -0.86354662 0.46089468  
Axis point 94.49979171 0.00000000 169.93304901  
Rotation angle (degrees) 178.85926176  
Shift along axis -116.10474148  
  

> view matrix models
> #8,-0.91608,0.34416,-0.20578,249.64,0.36251,0.49148,-0.79186,225.51,-0.17139,-0.8,-0.575,227.23

> hide #!4 models

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,0.03703,0.97509,-0.21868,238.31,0.90583,-0.12517,-0.40472,248.88,-0.42202,-0.1831,-0.88791,206.29

> view matrix models
> #8,0.074638,0.53271,0.843,268.81,0.97457,0.14014,-0.17485,247.44,-0.21128,0.83461,-0.50871,191.02

> view matrix models
> #8,0.44068,0.14729,0.8855,279.7,0.89453,-0.15442,-0.41948,249.23,0.074957,0.97696,-0.1998,194.66

> ui mousemode right ""translate selected models""

> view matrix models
> #8,0.44068,0.14729,0.8855,273.36,0.89453,-0.15442,-0.41948,217.84,0.074957,0.97696,-0.1998,206.7

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 2.31, steps = 84  
shifted from previous position = 16.9  
rotated from previous position = 29.3 degrees  
atoms outside contour = 3085, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.72860024 0.39940597 0.55643194 255.31489031  
0.66733485 -0.23094657 -0.70804508 210.54409571  
-0.15429139 0.88720827 -0.43480527 218.49815452  
Axis 0.90288165 0.40225526 0.15164242  
Axis point 0.00000000 -6.79317749 111.26756087  
Rotation angle (degrees) 117.94188870  
Shift along axis 348.34518917  
  

> view matrix models
> #8,0.7286,0.39941,0.55643,263.02,0.66733,-0.23095,-0.70805,241.1,-0.15429,0.88721,-0.43481,195.67

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 2.26, steps = 128  
shifted from previous position = 26.3  
rotated from previous position = 31.4 degrees  
atoms outside contour = 3085, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.61763786 0.51986080 0.59014250 258.69997343  
0.76615011 -0.56716039 -0.30223015 229.26949059  
0.17758785 0.63880654 -0.74859116 199.70294678  
Axis 0.89062470 0.39045381 0.23309541  
Axis point 0.00000000 39.59658091 79.82094071  
Rotation angle (degrees) 148.10923545  
Shift along axis 366.47357222  
  

> view matrix models
> #8,0.61764,0.51986,0.59014,275.21,0.76615,-0.56716,-0.30223,243.23,0.17759,0.63881,-0.74859,127.78

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,-0.53705,0.80947,-0.23734,248.77,0.40739,0.0025204,-0.91325,217.31,-0.73865,-0.58715,-0.33113,160.55

> view matrix models
> #8,0.72873,0.57464,0.37247,270.19,0.57479,-0.2176,-0.78884,225.3,-0.37225,0.78895,-0.48887,127.39

> ui mousemode right ""translate selected models""

> view matrix models
> #8,0.72873,0.57464,0.37247,205.53,0.57479,-0.2176,-0.78884,217.7,-0.37225,0.78895,-0.48887,185.77

> show #!4 models

> view matrix models
> #8,0.72873,0.57464,0.37247,236.58,0.57479,-0.2176,-0.78884,221.36,-0.37225,0.78895,-0.48887,164.6

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,0.73901,0.48622,0.46632,240.43,0.67011,-0.4592,-0.58317,231.13,-0.069414,0.74345,-0.66518,163.33

> ui mousemode right ""translate selected models""

> view matrix models
> #8,0.73901,0.48622,0.46632,234.12,0.67011,-0.4592,-0.58317,225.43,-0.069414,0.74345,-0.66518,167.61

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 1.614, steps = 92  
shifted from previous position = 19.1  
rotated from previous position = 17.6 degrees  
atoms outside contour = 3531, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.87844712 0.41662087 0.23400354 211.72793134  
0.46976682 -0.66332926 -0.58250612 226.27562679  
-0.08746281 0.62162795 -0.77841436 170.59558493  
Axis 0.96528496 0.25770107 0.04260405  
Axis point 0.00000000 56.02604821 109.04189125  
Rotation angle (degrees) 141.41173684  
Shift along axis 269.95732152  
  

> view matrix models
> #8,0.87845,0.41662,0.234,250.56,0.46977,-0.66333,-0.58251,248.95,-0.087463,0.62163,-0.77841,185.11

> ui mousemode right ""rotate selected models""

> view matrix models
> #8,0.60133,0.12276,0.78952,266.91,0.68317,-0.59142,-0.42837,250.99,0.41435,0.79696,-0.4395,189.32

> ui mousemode right ""translate selected models""

> view matrix models
> #8,0.60133,0.12276,0.78952,264.33,0.68317,-0.59142,-0.42837,228.2,0.41435,0.79696,-0.4395,200.78

> fitmap #8 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#8) to map emd_11236.map (#4) using
8341 atoms  
average map value = 2.26, steps = 128  
shifted from previous position = 5.32  
rotated from previous position = 25.8 degrees  
atoms outside contour = 3082, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#8) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
0.61739545 0.51996039 0.59030840 258.70179550  
0.76617403 -0.56757027 -0.30139890 229.28876560  
0.17832601 0.63836130 -0.74879547 199.69509808  
Axis 0.89057800 0.39042135 0.23332809  
Axis point 0.00000000 39.65093843 79.76355736  
Rotation angle (degrees) 148.15571590  
Shift along axis 366.50783313  
  

> select subtract #8

Nothing selected  

> select add #5

8769 atoms, 8945 bonds, 2 pseudobonds, 1125 residues, 2 models selected  

> view matrix models #5,1,0,0,172.59,0,1,0,376.54,0,0,1,121.91

> ui mousemode right ""rotate selected models""

> view matrix models
> #5,0.9817,0.11268,-0.15351,167.77,-0.11059,0.99362,0.022133,376.66,0.15502,-0.0047521,0.9879,122.32

> view matrix models
> #5,0.86608,0.18769,-0.46333,160.54,-0.10145,0.97355,0.20473,380.28,0.4895,-0.13031,0.86221,123.56

> view matrix models
> #5,0.99562,0.093476,-0.0024776,170.83,-0.093459,0.99387,-0.059002,375.29,-0.0030529,0.058975,0.99825,120.79

> view matrix models
> #5,0.99541,0.09464,-0.014513,170.6,-0.09528,0.99405,-0.052703,375.39,0.0094385,0.053844,0.9985,120.93

> view matrix models
> #5,0.62866,0.30726,-0.71441,153.11,-0.020968,0.925,0.37938,384.52,0.7774,-0.22352,0.58796,121.43

> ui mousemode right ""translate selected models""

> view matrix models
> #5,0.62866,0.30726,-0.71441,134.26,-0.020968,0.925,0.37938,385.88,0.7774,-0.22352,0.58796,176.82

> ui mousemode right ""rotate selected models""

> view matrix models
> #5,0.092676,0.53755,-0.83813,126.01,0.23174,0.80699,0.5432,391.79,0.96835,-0.24457,-0.049781,166.63

> view matrix models
> #5,-0.54152,0.25799,0.80012,157.76,0.66838,0.70941,0.22361,389.46,-0.50993,0.65587,-0.5566,136.15

> view matrix models
> #5,-0.58937,-0.35932,0.72355,167.48,0.16062,0.82564,0.54085,391.16,-0.79173,0.43498,-0.4289,141.43

> view matrix models
> #5,-0.6603,0.51671,0.54499,148.14,0.22517,0.82851,-0.51271,372.77,-0.71645,-0.21583,-0.66342,149.4

> view matrix models
> #5,-0.73687,0.31378,0.5988,152.52,0.21999,0.94884,-0.2265,375.6,-0.63924,-0.035165,-0.7682,144.54

> ui mousemode right ""translate selected models""

> view matrix models
> #5,-0.73687,0.31378,0.5988,188.91,0.21999,0.94884,-0.2265,284.55,-0.63924,-0.035165,-0.7682,291.99

> ui mousemode right ""rotate selected models""

> view matrix models
> #5,-0.95001,0.029873,0.3108,188.26,0.065217,0.99244,0.10396,289.05,-0.30535,0.11903,-0.94477,287.24

> ui mousemode right ""translate selected models""

> view matrix models
> #5,-0.95001,0.029873,0.3108,150.2,0.065217,0.99244,0.10396,235,-0.30535,0.11903,-0.94477,239.72

> view matrix models
> #5,-0.95001,0.029873,0.3108,206.05,0.065217,0.99244,0.10396,248.63,-0.30535,0.11903,-0.94477,230.35

> fitmap #5 inMap #4

Fit molecule CCHFV_Aug22_ElizaModel.pdb (#5) to map emd_11236.map (#4) using
8769 atoms  
average map value = 2.246, steps = 216  
shifted from previous position = 27.5  
rotated from previous position = 51 degrees  
atoms outside contour = 3217, contour level = 1.6431  
  
Position of CCHFV_Aug22_ElizaModel.pdb (#5) relative to emd_11236.map (#4)
coordinates:  
Matrix rotation and translation  
-0.78379403 0.54746113 0.29317766 202.79324261  
0.60309990 0.55842222 0.56959200 258.07313443  
0.14811258 0.62325826 -0.76786179 199.93660811  
Axis 0.32648389 0.88251741 0.33848381  
Axis point 55.46813359 0.00000000 48.50124778  
Rotation angle (degrees) 175.28564368  
Shift along axis 361.63806678  
  

> hide #!4 models

> ui mousemode right zoom

> select subtract #5

Nothing selected  

> show #!4 models

> open ""/Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/AlphaFold/AF M seg model initial.pdb""

Chain information for AF M seg model initial.pdb #9  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> mmaker #9 to #8

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 CCHFV_Aug22_ElizaModel.pdb, chain D (#8) with AF M seg model
initial.pdb, chain D (#9), sequence alignment score = 3192.9  
RMSD between 306 pruned atom pairs is 0.905 angstroms; (across all 556 pairs:
19.759)  
  

> hide #9 models

> hide #!4 models

> show #!4 models

> ui mousemode right translate

> ui mousemode right zoom

> save /Users/elizabethmcfadden/Desktop/image36.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image37.png supersample 3

> hide #!4 models

> show #!4 models

> save /Users/elizabethmcfadden/Desktop/image37.png supersample 3

> close #3

> close #2

> close #9

> save ""/Users/elizabethmcfadden/Desktop/CCHFV M segment tetramer TULV
> fit.cxs"" includeMaps true

> hide #!4 models

> ui mousemode right select

Drag select of 63 residues, 2 pseudobonds  

> delete sel

Drag select of 75 residues, 2 pseudobonds  

> ~select

Nothing selected  

> select clear

Drag select of 17 residues, 1 pseudobonds  

> delete

Missing or invalid ""atoms"" argument: empty atom specifier  

> delete sel

> ui mousemode right zoom

> ui mousemode right select

> ui mousemode right rotate

> ui mousemode right select

Drag select of 27 residues, 1 pseudobonds  

> delete sel

> ui mousemode right zoom

> Color #5/A medium sea green

Unknown command: Color #5/A medium sea green  

> color #5/A medium sea green

> color #5/D medium sea green

> color #6/D medium sea green

> color #7/D medium sea green

> color #8/D medium sea green

> color #8/A dodger blue

> color #7/A dodger blue

> color #6/A dodger blue

> color #5/A dodger blue

> color #5/B orange

> color #5/B oran6e

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms', or 'random'
or a keyword  

> color #6/B orange

> color #7/B orange

> color #8/B orange

> color #5/C gray

> color #6/C gray

> color #7/C gray

> color #8/C gray

> show #!5-8 surfaces

> hide #!5-8 surfaces

> show #!5-8 atoms

> style #!5-8 sphere

Changed 32847 atom styles  

> hide #!5-8 atoms

> show #!5-8 cartoons

> show #!4 models

> hide #!4 models

> show #!1 models

> color #1 #d4fb79 transparency 0

> show #!4 models

> hide #!5 models

> show #!5 models

> hide #!1 models

> hide #!4 models

> show #!1 models

> hide #!5 models

> ui mousemode right translate

> hide #!1 models

> show #!5 models

> show #!1 models

> hide #!5 models

> ui mousemode right translate

> ui mousemode right zoom

> show #!5 models

> hide #!1 models

> save ""/Users/elizabethmcfadden/Desktop/CCHFV M segment tetramer TULV
> fit.cxs"" includeMaps true

——— End of log from Sun Feb 19 21:51:52 2023 ———

opened ChimeraX session  

> color #5/A cornflower blue

> color #6/A cornflower blue

> lighting soft

> lighting flat

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> lighting simple

> lighting soft

> show #!4 models

> graphics silhouettes true

> graphics silhouettes false

> ui tool show ""Side View""

> ui mousemode right zoom

> lighting soft

> lighting simple

> lighting soft

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> lighting soft

> color #7/A cornflower blue

> color #8/A cornflower blue

> color #5/A cornflower blue

> color #5/B dark orange

> color #6/B dark orange

> color #7/B dark orange

> color #8/B dark orange

> hide #!7 models

> hide #!8 models

> show #!8 models

> hide #!6 models

> hide #!5 models

> graphics silhouettes true

> graphics silhouettes false

> lighting simple

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting shadows true

> lighting simple

> save /Users/elizabethmcfadden/Desktop/image35.png supersample 3

> show #!5 models

> show #!6 models

> show #!7 models

> save /Users/elizabethmcfadden/Desktop/image36.png supersample 3

> hide #!8 models

> hide #!7 models

> hide #!6 models

> show #!1 models

> hide #!5 models

> hide #!4 models

> color #1/A/C/E/G

> color #1/A/C/E/G dark blue

> color #1/A/C/E/G blue

> color #1 #102f9dff

> color #1 #125a9dff

> color #1 #225a9dff

> color #1/A/C/E/G #225A9D

> color #1/B /D /F /H dark green

> color #1/B /D /F /H sea green

> color #1 #bade86ff

> color #1/B /D /F /H yellow green

> color #1/A/C/E/G goldenrod

> color #1/B /D /F /H dark sea green

> color #1/A/C/E/G pale goldenrod

> color #1/A/C/E/G goldenrod

> color #1/A/C/E/G gold

> show #!4 models

> color #1/A: 22-176,205-218, 361-374 blue

> hide #!4 models

> color #1/A:205-218, 361-374 white

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 slateblue

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 dark slate blue

> show #!4 models

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 slateblue

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 blue

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 royal blue

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 cornflower blue

> show #!5 models

> hide #!4 models

> show #!4 models

> hide #!1 models

> show #!1 models

> hide #!4 models

> show #!4 models

> color #4 #b2b2b276 models

> color #4 #b2b2b26b models

> hide #!4 models

> hide #!1 models

> show #!1 models

> hide #!5 models

> show #!4 models

> color #4 #b2b2b24d models

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 blue

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 cornflower blue

> color #1/A/C/E/G dark orange

> color #1/A: 22-176 /C: 22-176 /E: 22-176 /G: 22-176 cornflower blue

> color #1/B /D /F /H medium sea green

> hide #!4 models

> show #!4 models

> hide #!4 models

> color #1/A: 918-985 /C: 918-985 /E: 918-985 /G: 918-985 red

> color #1/A: 986-1200 /C: 986-1200 /E: 986-1200 /G: 986-1200 gray

> show #!4 models

> hide #!4 models

> hide #!1 models

> show #!5 models

> color #5/B: 659-685 gray

> color #5/B: 585-658 red

> color #6/B: 659-685 gray

> color #7/B: 659-685 gray

> color #8/B: 659-685 gray

> color #6/B: 585-658 red

> color #7/B: 585-658 red

> color #8/B: 585-658 red

> show #!6 models

> show #!7 models

> show #!8 models

> show #!4 models

> show #!1 models

> hide #!4 models

> hide #!5 models

> hide #!6 models

> hide #!7 models

> hide #!8 models

> show #!4 models

> save /Users/elizabethmcfadden/Desktop/image37.png supersample 3

> hide #!1 models

> show #!5 models

> show #!6 models

> show #!7 models

> show #!8 models

> save /Users/elizabethmcfadden/Desktop/image38.png supersample 3

> hide #!8 models

> hide #!7 models

> hide #!6 models

> hide #!5 models

> show #!1 models

> save /Users/elizabethmcfadden/Desktop/image39.png supersample 3

> show #!5 models

> show #!6 models

> hide #!5 models

> hide #!6 models

> save /Users/elizabethmcfadden/Desktop/image40.png supersample 3

> hide #!4 models

> show #!5 models

> show #!6 models

> show #!4 models

> hide #!1 models

> show #!7 models

> show #!8 models

> save /Users/elizabethmcfadden/Desktop/image41.png supersample 3

> hide #!4 models

> show #!4 models

> hide #!5 models

> hide #!8 models

> hide #!7 models

> hide #!6 models

> hide #!4 models

> show #!1 models

> save ""/Users/elizabethmcfadden/Desktop/CCHFV in TULV domain colors.cxs""
> includeMaps true

> show #!4 models

> hide #!1 models

> hide #!4 models

> show #!5 models

> lighting soft

> graphics silhouettes true

> show #!4 models

> hide #!4 models

> color #5/B: 585-661 red

> save /Users/elizabethmcfadden/Desktop/image42.png supersample 3

> ui mousemode right select

Drag select of 9 residues  

> delete sel

> select #5/B:842-855

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #5/B:830-842

49 atoms, 50 bonds, 7 residues, 1 model selected  

> delete sel

Drag select of 11 residues  

> select #5/B:687

7 atoms, 7 bonds, 1 residue, 1 model selected  

> delete sel

> select #5/B:686

10 atoms, 10 bonds, 1 residue, 1 model selected  

> delete sel

> ui mousemode right zoom

> select #5/C:991-1041

389 atoms, 396 bonds, 49 residues, 1 model selected  

> color sel light green

> select add #5

8143 atoms, 8303 bonds, 1044 residues, 2 models selected  

> select subtract #5

4 models selected  

> select #5/C:991-1041

389 atoms, 396 bonds, 49 residues, 1 model selected  

> color sel yellow green

> select add #5

8143 atoms, 8303 bonds, 1044 residues, 2 models selected  

> select add #6

15973 atoms, 16288 bonds, 1 pseudobond, 2050 residues, 7 models selected  

> select subtract #6

8143 atoms, 8303 bonds, 1044 residues, 8 models selected  

> select subtract #5

4 models selected  

> ui mousemode right select

Drag select of 4 residues  

> delete sel

> select clear

> ui mousemode right zoom

> save /Users/elizabethmcfadden/Desktop/image43.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image44.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image45.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image46.png supersample 3

> show #!6 models

> show #!7 models

> show #!8 models

> hide #!8 models

> hide #!7 models

> hide #!6 models

> hide #!5 models

> show #!1 models

> select #1/A /B

6668 atoms, 6837 bonds, 3 pseudobonds, 871 residues, 2 models selected  

> select ~sel

53107 atoms, 54284 bonds, 15 pseudobonds, 6844 residues, 11 models selected  

> delete sel

> save /Users/elizabethmcfadden/Desktop/image47.png supersample 3

> open 6F9C

Summary of feedback from opening 6F9C fetched from pdb  
---  
note | Fetching compressed mmCIF 6f9c from
http://files.rcsb.org/download/6f9c.cif  
  
6f9c title:  
Model of the Rift Valley fever virus glycoprotein hexamer type 1 [more
info...]  
  
Chain information for 6f9c #2  
---  
Chain | Description | UniProt  
A C E G I K | Glycoprotein | A2T085_RVFV 154-469  
B D F H J L | Glycoprotein | A2T072_RVFV 691-1118  
  

> select #2/A/B

5508 atoms, 5617 bonds, 2 pseudobonds, 732 residues, 2 models selected  

> select ~sel

34208 atoms, 34922 bonds, 13 pseudobonds, 4531 residues, 6 models selected  

> select subtract #1

27540 atoms, 28085 bonds, 10 pseudobonds, 3660 residues, 4 models selected  

> delete sel

> close #4

> mmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 6zjm, chain B (#1) with 6f9c, chain B (#2), sequence alignment
score = 135.4  
RMSD between 26 pruned atom pairs is 1.453 angstroms; (across all 338 pairs:
26.774)  
  

> hide atoms

> show cartoons

> hide #!1 models

> dssp

> undo

> color #2/B medium sea green

> color #2/A dark orange

> close #2

> open 6Y62

6y62 title:  
Crystal structure of the envelope glycoprotein complex of Maporal virus in a
prefusion conformation [more info...]  
  
Chain information for 6y62 #2  
---  
Chain | Description | UniProt  
A B | Envelope polyprotein,Envelope polyprotein | Q5MYC0_9VIRU 21-374 255-607
419-874 652-1107  
  
Non-standard residues in 6y62 #2  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> mmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 6zjm, chain B (#1) with 6y62, chain B (#2), sequence alignment
score = 3546.4  
RMSD between 167 pruned atom pairs is 0.717 angstroms; (across all 408 pairs:
6.602)  
  

> hide #!2 atoms

> color #2/B medium sea green

> color #2/A dark orange

> show #!1 models

> mmaker #2/B to #1/B

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 6zjm, chain B (#1) with 6y62, chain B (#2), sequence alignment
score = 3546.4  
RMSD between 167 pruned atom pairs is 0.717 angstroms; (across all 408 pairs:
6.602)  
  

> mmaker #2/A to #1/A

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 6zjm, chain A (#1) with 6y62, chain A (#2), sequence alignment
score = 3493.6  
RMSD between 325 pruned atom pairs is 0.753 angstroms; (across all 352 pairs:
1.267)  
  

> close #2

> save /Users/elizabethmcfadden/Desktop/image48.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image49.png supersample 3

> close

> open 6vkf

6vkf title:  
CCHFV GP38 (IbAr10200) [more info...]  
  
Chain information for 6vkf #1  
---  
Chain | Description | UniProt  
A B | GP38 | A0A1V0G0G3_9VIRU 248-515  
  
Non-standard residues in 6vkf #1  
---  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose  
  
6vkf mmCIF Assemblies  
---  
1| software_defined_assembly  
2| software_defined_assembly  
  

> delete #1/B

> ui mousemode right select

Drag select of 28 atoms, 29 bonds  

> delete sel

> color #1 violet

> color #1 #e4aeecff

> color byattribute hetero

No known/registered numeric attribute hetero  

> color byhetero

> hide all

> select ::name=""NAG""

56 atoms, 58 bonds, 4 residues, 1 model selected  

> show sel

> select add #1

1998 atoms, 2034 bonds, 1 pseudobond, 250 residues, 2 models selected  

> select subtract #1

Nothing selected  

> select clear

> ui mousemode right zoom

> ui mousemode right select

> select clear

> select /A:376

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel

> select /A:425

7 atoms, 6 bonds, 1 residue, 1 model selected  

> select /A:426

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel

> select add #1

1998 atoms, 2034 bonds, 1 pseudobond, 250 residues, 2 models selected  

> select subtract #1

Nothing selected  

> select clear

> ui mousemode right zoom

> lighting soft

> open /Users/elizabethmcfadden/Desktop/Em27ref47coot1-coot-4.pdb

Chain information for Em27ref47coot1-coot-4.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
  

> mmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 6vkf, chain A (#1) with Em27ref47coot1-coot-4.pdb, chain A (#2),
sequence alignment score = 1229.9  
RMSD between 223 pruned atom pairs is 0.576 angstroms; (across all 240 pairs:
1.577)  
  

> hide #!1 models

> show #!1 models

> hide #!1 models

> dssp

> show #!1 models

> hide #!2 models

> save /Users/elizabethmcfadden/Desktop/image50.png supersample 3

> save /Users/elizabethmcfadden/Desktop/image51.png supersample 3

> close #2

> close

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/GcEctoBase36125_46152_Phenix/RealSpaceRefine_2/GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb

Chain information for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb
#1  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> hide atoms

> show cartoons

> coulombic

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #1.2: minimum, -20.60, mean -0.39, maximum 15.52  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #1.4: minimum, -13.78, mean -1.56, maximum 9.23  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #1.5: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #1.6: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #1.7: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #1.8: minimum, -8.75, mean 0.71, maximum 12.41  
To also show corresponding color key, enter the above coulombic command and
add key true  

> delete #1/D

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/GcEctoBase36125_46152_Phenix/RealSpaceRefine_2/GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb

Chain information for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb
#2  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> delete #2/A/B

> hide atoms

> show cartoons

> coulombic

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #1.2: minimum, -20.60, mean -0.39, maximum 15.52  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #1.5: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #1.6: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #1.7: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #1.8: minimum, -8.75, mean 0.71, maximum 12.41  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #2.2: minimum, -13.78, mean -1.56, maximum 9.23  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #2.3: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #2.4: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #2.5: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #2.6: minimum, -8.75, mean 0.71, maximum 12.41  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> close #2

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/GcEctoBase36125_46152_Phenix/RealSpaceRefine_2/GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb

Chain information for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb
#2  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> delete #2/B

> hide atoms

> show cartoons

> coulombic

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #1.2: minimum, -20.60, mean -0.39, maximum 15.52  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #1.5: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #1.6: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #1.7: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #1.8: minimum, -8.75, mean 0.71, maximum 12.41  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #2.2: minimum, -20.60, mean -0.39, maximum 15.51  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #2.3: minimum, -13.78, mean -1.56, maximum 9.23  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #2.4: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #2.5: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #2.6: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #2.7: minimum, -8.75, mean 0.71, maximum 12.41  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!1 models

> hide #!2 models

> show #!1 models

> delete #1/A

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> select ::name=""BMA""::name=""LYS""::name=""NAG""

727 atoms, 664 bonds, 77 residues, 2 models selected  

> delete #1/B:1554

> select #1/B:1584

14 atoms, 14 bonds, 1 residue, 1 model selected  

> show sel

> coulombic

Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #1.5: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #1.6: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #1.7: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #1.8: minimum, -8.75, mean 0.71, maximum 12.41  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #2.2: minimum, -20.60, mean -0.39, maximum 15.51  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #2.3: minimum, -13.78, mean -1.56, maximum 9.23  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface #2.4: minimum, -9.83, mean 0.35, maximum 8.55  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface #2.5: minimum, -12.35, mean 0.67, maximum 15.14  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface #2.6: minimum, -7.64, mean 2.15, maximum 12.48  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface #2.7: minimum, -8.75, mean 0.71, maximum 12.41  

> show #!2 models

> hide #!1 models

> show #!1 models

> select add #1

3863 atoms, 3951 bonds, 1 pseudobond, 502 residues, 2 models selected  

> select subtract #1

5 models selected  

> select #1/B:1584-1586

39 atoms, 41 bonds, 3 residues, 1 model selected  

> show sel

> select add #1

3863 atoms, 3951 bonds, 1 pseudobond, 502 residues, 2 models selected  

> select add #2

11012 atoms, 11282 bonds, 8 pseudobonds, 1411 residues, 9 models selected  

> mlp sel

Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface"": minimum -26.9, mean -4.564, maximum 22.07  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface"": minimum -28.54, mean -4.29, maximum 23.51  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface"": minimum -28.69, mean -4.377, maximum 23.22  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface"": minimum -25.47, mean -5.319, maximum 22.92  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface"": minimum -25.88, mean -5.847, maximum 22.53  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface"": minimum -24.83, mean -5.613, maximum 22.01  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface"": minimum -28.33, mean -5.339, maximum 21.98  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface"": minimum -28.69, mean -4.377, maximum 23.22  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface"": minimum -25.47, mean -5.319, maximum 22.92  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface"": minimum -25.88, mean -5.847, maximum 22.53  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface"": minimum -24.83, mean -5.613, maximum 22.01  
To also show corresponding color key, enter the above mlp command and add key
true  

> select subtract #2

3863 atoms, 3951 bonds, 1 pseudobond, 502 residues, 13 models selected  

> select subtract #1

5 models selected  

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> delete #2/D

> delete #2/H/L

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/GcEctoBase36125_46152_Phenix/RealSpaceRefine_2/GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb

Chain information for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb
#3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> delete #3/H/L/A/B/E/F

> mlp

Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface"": minimum -26.9, mean -4.564, maximum 22.07  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface"": minimum -28.69, mean -4.377, maximum 23.22  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface"": minimum -25.47, mean -5.319, maximum 22.92  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface"": minimum -28.33, mean -5.339, maximum 21.98  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_E
SES surface"": minimum -28.69, mean -4.377, maximum 23.22  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_F
SES surface"": minimum -25.47, mean -5.319, maximum 22.92  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_H
SES surface"": minimum -25.88, mean -5.847, maximum 22.53  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_L
SES surface"": minimum -24.83, mean -5.613, maximum 22.01  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface"": minimum -28.54, mean -4.29, maximum 23.51  
To also show corresponding color key, enter the above mlp command and add key
true  

> hide atoms

> show cartoons

> delete #1/H/L/E/F

> delete #2/H/L/E/F

> hide #!3 models

> show #!3 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!3 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!3 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!3 models

> show #!2 models

> hide #!2 models

> show #!3 models

> show #!2 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!2 models

> show #!2 models

> select #1/B:1584-1586

39 atoms, 41 bonds, 3 residues, 1 model selected  

> hide #!1 models

> show #!1 models

> select #1/B:1584-1586

39 atoms, 41 bonds, 3 residues, 1 model selected  

> show sel

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> select add #1

447 atoms, 454 bonds, 56 residues, 1 model selected  

> select subtract #1

1 model selected  

> hide #!1 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> show #!1 models

> show #!3 models

> coulombic

Using Amber 20 recommended default charges and atom types for standard
residues  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #2.2: minimum, -20.60, mean -0.39, maximum 15.51  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #3.2: minimum, -13.78, mean -1.56, maximum 9.23  
To also show corresponding color key, enter the above coulombic command and
add key true  

> mlp

Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface"": minimum -26.9, mean -4.564, maximum 22.07  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface"": minimum -28.33, mean -5.339, maximum 21.98  
Map values for surface
""GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface"": minimum -28.54, mean -4.29, maximum 23.51  
To also show corresponding color key, enter the above mlp command and add key
true  

> coulombic

Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_B
SES surface #1.3: minimum, -16.76, mean -0.19, maximum 13.37  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_A
SES surface #2.2: minimum, -20.60, mean -0.39, maximum 15.51  
Coulombic values for
GP38GnHGc36125_46152_Fit3_real_space_refined_001-coot-4_real_space_refined_002.pdb_D
SES surface #3.2: minimum, -13.78, mean -1.56, maximum 9.23  
To also show corresponding color key, enter the above coulombic command and
add key true  

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!3 models

> hide #!3 models

> show #!1 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 models

> show #!2 models

> hide #!3 models

> hide #!2 models

> show #!3 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!3 models

> show #!3 models

> open
> ""/Users/elizabethmcfadden/Documents/P1P8_Gc_36124_42437_refine_15-coot-0-LSQ
> (1).pdb""

Chain information for P1P8_Gc_36124_42437_refine_15-coot-0-LSQ (1).pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
H | No description available  
L | No description available  
  

> hide #!4 models

> close #4

> close

> open /Users/elizabethmcfadden/Desktop/GP38GnHGc36125_46152_FixFusionLoops-
> coot-5.pdb

Chain information for GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> open /Users/elizabethmcfadden/Desktop/GP38GnHGc36125_46152_FixFusionLoops-
> coot-5.pdb

Chain information for GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> open /Users/elizabethmcfadden/Desktop/GP38GnHGc36125_46152_FixFusionLoops-
> coot-5.pdb

Chain information for GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> delete #1/H/L/E/F/B/D

> delete #2/H/L/E/F/A/D

> delete #3/H/L/E/F/A/B

> style stick

Changed 4155 atom styles  

> mlp

Map values for surface ""GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb_B SES
surface"": minimum -28.03, mean -5.42, maximum 20.58  
Map values for surface ""GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb_D SES
surface"": minimum -28.06, mean -4.499, maximum 23.21  
Map values for surface ""GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb_A SES
surface"": minimum -26.49, mean -4.719, maximum 22.41  
To also show corresponding color key, enter the above mlp command and add key
true  

> open /Users/elizabethmcfadden/Desktop/GP38GnHGc36125_46152_FixFusionLoops-
> coot-5.pdb

Chain information for GP38GnHGc36125_46152_FixFusionLoops-coot-5.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> hide #!1 models

> hide #!2 models

> hide #!3 models

> hide #!4 atoms

> show #!4 cartoons

> dssp

> open /Users/elizabethmcfadden/Library/CloudStorage/Box-
> Box/ElizabethMcFadden/CCHFV/GcEctoBase36125_46152_Phenix/cryosparc_P607_J142_map_sharp.mrc

Opened cryosparc_P607_J142_map_sharp.mrc as #5, grid size 480,480,480, pixel
0.833, shown at level 0.000596, step 2, values float32  

> surface dust #5 size 8.33

> volume #5 level 0.03432

> volume #5 level 0.05456

> volume #5 step 1

> volume #5 level 0.05826

> volume #5 level 0.085

> volume #5 level 0.08

> volume #5 level 0.07

> color #4/A cornflower blue

> color #4/B dark orange

> color #4/D medium sea green

> color #4/L pink

> hide #!5 models

> show #!5 models

> color #4/H #941751

> color #4/E goldenrod

> color #4/F pale goldenrod

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> color zone #5 near #4 distance 5

> color zone #5 near #4 distance 4

> color zone #5 near #4 distance 3

> color zone #5 near #4 distance 4

> color zone #5 near #4 distance 5

> surface dust #5 size 8.33

> volume #5 level 0.06

> volume #5 level 0.08

> volume #5 level 0.07

> volume #5 level 0.08

> volume #5 level 0.07

> volume #5 level 0.06

> color zone #5 near #4 distance 4

> color zone #5 near #4 distance 3

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!4 atoms

> show #!5 models

> style #!4 stick

Changed 7571 atom styles  

> close #4

> open /Users/elizabethmcfadden/Desktop/GP38GnHGc36125_46152_FixFusionLoops-
> coot-6.pdb

Chain information for GP38GnHGc36125_46152_FixFusionLoops-coot-6.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
L | No description available  
  

> hide #!4 atoms

> show #!4 cartoons

> color #4/A cornflower blue

> color #4/B dark orange

> color #4/D medium sea green

> color #4/H #941751

> color #4/L pink

> color #4/E goldenrod

> color #4/F pale goldenrod

> color zone #5 near #4 distance 4

> color zone #5 near #4 distance 3

> color zone #5 near #4 distance 4

> color zone #5 near #4 distance 3

> color zone #5 near #4 distance 4

> volume splitbyzone #5

Opened cryosparc_P607_J142_map_sharp.mrc 0 as #6.1, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 1 as #6.2, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 2 as #6.3, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 3 as #6.4, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 4 as #6.5, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 5 as #6.6, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 6 as #6.7, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 7 as #6.8, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  

> hide #!6.1 models

> surface dust #6.2 size 8.33

> surface dust #6.3 size 8.33

> surface dust #6.4 size 8.33

> surface dust #6.5 size 8.33

> surface dust #6.6 size 8.33

> surface dust #6.7 size 8.33

> surface dust #6.8 size 8.33

> lighting soft

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting soft

> ui tool show ""Side View""

> view orient

> save /Users/elizabethmcfadden/Desktop/GP38GnGcfig.cxs includeMaps true

> close #6.6-8

> close

> open /Users/elizabethmcfadden/Desktop/GP38GnGcfig.cxs format session

Opened cryosparc_P607_J142_map_sharp.mrc as #5, grid size 480,480,480, pixel
0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 0 as #6.1, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 1 as #6.2, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 2 as #6.3, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 3 as #6.4, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 4 as #6.5, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 5 as #6.6, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 6 as #6.7, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
Opened cryosparc_P607_J142_map_sharp.mrc 7 as #6.8, grid size 480,480,480,
pixel 0.833, shown at level 0.06, step 1, values float32  
opened ChimeraX session  


===== Log before crash end =====

Log:
> set bgColor white

> cd

Current working directory is: /Users/elizabethmcfadden  

> cd Desktop

Current working directory is: /Users/elizabethmcfadden/Desktop  
UCSF ChimeraX version: 1.7.dev202307312254 (2023-07-31)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 INTEL-18.8.6
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics OpenGL Engine
OpenGL vendor: Intel Inc.

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,2
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 2 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 512 KB
      L3 Cache: 6 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 1968.100.17.0.0 (iBridge: 20.16.4252.0.0,0)
      OS Loader Version: 540.120.3~22

Software:

    System Software Overview:

      System Version: macOS 12.6.5 (21G531)
      Kernel Version: Darwin 21.6.0
      Time since boot: 3 days 1:39

Graphics/Displays:

    Intel Iris Plus Graphics:

      Chipset Model: Intel Iris Plus Graphics
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x8a53
      Revision ID: 0x0007
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2022.12.7
    cftime: 1.6.2
    charset-normalizer: 3.2.0
    ChimeraX-AddCharge: 1.5.11
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.46.1
    ChimeraX-AtomicLibrary: 10.0.8
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.4
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.dev202307312254
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.2
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.1
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.2
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.9
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.31.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.1.0
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.41.1
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.9.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.38
    imagecodecs: 2023.7.10
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.0
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.3.1
    jupyterlab-widgets: 3.0.8
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.7
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 10.0.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.10.0
    prompt-toolkit: 3.0.39
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3
    pyzmq: 25.1.0
    qtconsole: 5.4.3
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.2
    traitlets: 5.9.0
    typing-extensions: 4.7.1
    tzdata: 2023.3
    urllib3: 2.0.4
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.8

}}}
"	defect	closed	normal		Core		can't reproduce						all	ChimeraX
