Opened 5 months ago

Closed 5 months ago

#17745 closed defect (duplicate)

Crash on Mac waking from sleep

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

Description

The following bug report has been submitted:
Platform:        macOS-15.4.1-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX.
Fatal Python error: Segmentation fault

Thread 0x000000031d533000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 579 in _handle_results
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000031c527000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 531 in _handle_tasks
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000031b51b000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py", line 415 in select
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py", line 930 in wait
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 502 in _wait_for_updates
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 522 in _handle_workers
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x000000031a50f000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x0000000319503000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003184f7000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003174eb000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003164df000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003154d3000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003144c7000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Thread 0x00000003134bb000 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py", line 114 in worker
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 975 in run
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Current thread 0x00000001f02a0c80 (most recent call first):
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 330 in event_loop
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1054 in init
  File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1217 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, chimerax.surface._surface, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.pdb_lib._load_libs, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, PIL._imagingmath, chimerax.atom_search.ast, chimerax.chem_group._chem_group, psutil._psutil_osx, psutil._psutil_posix, cython.cimports.libc.math, scipy._lib._ccallback_c, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.special._ufuncs_cxx, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.special._ellip_harm_2, scipy.spatial.transform._rotation, scipy.optimize._direct, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw (total: 123)


{"app_name":"ChimeraX","timestamp":"2025-05-19 15:28:37.00 +0200","app_version":"1.9.0","slice_uuid":"17982d98-65bc-3327-8526-577ec996453c","build_version":"1.9.0.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":0,"is_first_party":0,"bug_type":"309","os_version":"macOS 15.4.1 (24E263)","roots_installed":0,"name":"ChimeraX","incident_id":"68AE61E1-4391-4128-98A1-2AD9DB1A34BC"}
{
  "uptime" : 410000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 502,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro17,1",
  "coalitionID" : 18395,
  "osVersion" : {
    "train" : "macOS 15.4.1",
    "build" : "24E263",
    "releaseType" : "User"
  },
  "captureTime" : "2025-05-19 15:27:37.0137 +0200",
  "codeSigningMonitor" : 1,
  "incident" : "68AE61E1-4391-4128-98A1-2AD9DB1A34BC",
  "pid" : 59088,
  "translated" : false,
  "cpuType" : "ARM-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2025-05-16 12:45:00.5090 +0200",
  "procStartAbsTime" : 8904060580794,
  "procExitAbsTime" : 9967674562077,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.9.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.9.0","CFBundleVersion":"1.9.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"665B2339-8928-550B-AC7A-B8A6BD9E6AAB","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "2410B88A-42D9-F9EF-CE18-FE5F911BD0F9",
  "lowPowerMode" : 1,
  "appleIntelligenceStatus" : {"state":"unavailable","reasons":["notOptedIn"]},
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "codeSigningAuxiliaryInfo" : 0,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRm+D\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkZDg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "bootSessionUUID" : "B83A3FE1-D5D1-4BEF-8411-334914186213",
  "wakeTime" : 21942,
  "sleepWakeUUID" : "01DC484E-4B61-49BA-9CB7-AB88D0DB2681",
  "sip" : "enabled",
  "vmRegionInfo" : "0x6b29bea1d298 is not in any region.  \n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      UNUSED SPACE AT END",
  "exception" : {"codes":"0x0000000000000001, 0x0000eb29bea1d298","rawCodes":[1,258564524462744],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000eb29bea1d298 -> 0x00006b29bea1d298 (possible pointer authentication failure)"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":59088},
  "ktriageinfo" : "VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\n",
  "vmregioninfo" : "0x6b29bea1d298 is not in any region.  \n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      UNUSED SPACE AT END",
  "extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0},
  "faultingThread" : 0,
  "threads" : [{"threadState":{"x":[{"value":0},{"value":0},{"value":1},{"value":6135397592},{"value":99},{"value":95},{"value":4131758540096},{"value":4577896003},{"value":13785720811032868564},{"value":13785720805398215252},{"value":14757395258967641293},{"value":4294967286},{"value":6135397521},{"value":0},{"value":49},{"value":4294967280},{"value":328},{"value":8341490368},{"value":0},{"value":11},{"value":259},{"value":8324255072,"symbolLocation":224,"symbol":"_main_thread"},{"value":0},{"value":1},{"value":4354000432,"symbolLocation":0,"symbol":"faulthandler_handlers"},{"value":8282083328,"symbolLocation":0,"symbol":"OBJC_IVAR_$_NSDebugMenuResponderChainProvider._menuItem"},{"value":8282083328,"symbolLocation":0,"symbol":"OBJC_IVAR_$_NSDebugMenuResponderChainProvider._menuItem"},{"value":4},{"value":1}],"flavor":"ARM_THREAD_STATE64","lr":{"value":6463215756},"cpsr":{"value":1073745920},"fp":{"value":6135397664},"sp":{"value":6135397632},"esr":{"value":1442840704,"description":" 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    "uuid" : "5ab66e9b-19c0-3fe8-9793-d5156d1c7050",
    "path" : "\/System\/Library\/Frameworks\/Foundation.framework\/Versions\/C\/Foundation",
    "name" : "Foundation",
    "CFBundleVersion" : "3423"
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],
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    "queue" : "com.apple.main-thread"
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  "logWritingSignature" : "656d6f547ef77657a87e2c88ad7e4901310b8afd",
  "trialInfo" : {
  "rollouts" : [
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      "factorPackIds" : {
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      "deploymentId" : 240000004
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  "experiments" : [
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}
===== Log before crash start =====
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250515_ACP-DH-ER-comparison.cxs"

Log from Thu May 15 15:40:08 2025 Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Sequences and Structures/hFASN_NADPH_DH-
> ACP_Model.pdb"

Chain information for hFASN_NADPH_DH-ACP_Model.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Sequences and Structures/hFASN_NADPH_ER-
> ACP_Model.pdb"

Chain information for hFASN_NADPH_ER-ACP_Model.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> ui tool show "Show Sequence Viewer"

> sequence chain #1/A

Alignment identifier is 1/A  

> color gray #1 ;

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

> color #1/A:1-406 #2a3890

> color #1/B:1-406 #2a3890

> color #1/A:491-815 #8cc63f

> color #1/B:491-815 #8cc63f

> color #1/A:859-1101 #f26521

> color #1/B:859-1101 #f26521

> color #1/A:1115-1404 #ff0000

> color #1/B:1115-1404 #ff0000

> color #1/A:1413-1518 #228B22

> color #1/B:1413-1518 #228B22

> color #1/A:1525-1855 #ffde17

> color #1/B:1525-1855 #ffde17

> color #1/A:1886-2108 #006838

> color #1/B:1886-2108 #006838

> color #1/A:2127-2192 #ee2b7b

> color #1/B:2127-2192 #ee2b7b

> color gray #2 ;

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

> color #2/A:1-406 #2a3890

> color #2/B:1-406 #2a3890

> color #2/A:491-815 #8cc63f

> color #2/B:491-815 #8cc63f

> color #2/A:859-1101 #f26521

> color #2/B:859-1101 #f26521

> color #2/A:1115-1404 #ff0000

> color #2/B:1115-1404 #ff0000

> color #2/A:1413-1518 #228B22

> color #2/B:1413-1518 #228B22

> color #2/A:1525-1855 #ffde17

> color #2/B:1525-1855 #ffde17

> color #2/A:1886-2108 #006838

> color #2/B:1886-2108 #006838

> color #2/A:2127-2192 #ee2b7b

> color #2/B:2127-2192 #ee2b7b

> color gray #1 ;

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

> color gray #1

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

> color grey #1

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

> color grey #1/A

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

> color gray All

> color #1/A:1-406 #2a3890

> color #1/B:1-406 #2a3890

> color #1/A:491-815 #8cc63f

> color #1/B:491-815 #8cc63f

> color #1/A:859-1101 #f26521

> color #1/B:859-1101 #f26521

> color #1/A:1115-1404 #ff0000

> color #1/B:1115-1404 #ff0000

> color #1/A:1413-1518 #228B22

> color #1/B:1413-1518 #228B22

> color #1/A:1525-1855 #ffde17

> color #1/B:1525-1855 #ffde17

> color #1/A:1886-2108 #006838

> color #1/B:1886-2108 #006838

> color #1/A:2127-2192 #ee2b7b

> color #1/B:2127-2192 #ee2b7b

> color #2/A:1-406 #2a3890

> color #2/B:1-406 #2a3890

> color #2/A:491-815 #8cc63f

> color #2/B:491-815 #8cc63f

> color #2/A:859-1101 #f26521

> color #2/B:859-1101 #f26521

> color #2/A:1115-1404 #ff0000

> color #2/B:1115-1404 #ff0000

> color #2/A:1413-1518 #228B22

> color #2/B:1413-1518 #228B22

> color #2/A:1525-1855 #ffde17

> color #2/B:1525-1855 #ffde17

> color #2/A:1886-2108 #006838

> color #2/B:1886-2108 #006838

> color #2/A:2127-2192 #ee2b7b

> color #2/B:2127-2192 #ee2b7b

> ui tool show "Model Panel"

> combine #1

> combine #2

> rename #3 DH-ACP

> rename #4 ER-ACP

> rename #1 hFAS

> hide #!2 models

> hide #!4 models

> show #!4 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!4 models

> show #!4 models

> show #!3 models

> show #!2 models

> hide #!3 models

> hide #!4 models

> hide #!1 models

> color #2/A:2127-2192 #ee2b7b

> color #2/B:2127-2192 #ee2b7b

> color #4/A:2127-2192 #ee2b7b

> color #4/B:2127-2192 #ee2b7b

> hide #!2 models

> show #!4 models

> select #4/B:1203

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select up

46 atoms, 45 bonds, 3 residues, 1 model selected  

> select up

13661 atoms, 13808 bonds, 894 residues, 1 model selected  

> select up

13781 atoms, 13927 bonds, 902 residues, 1 model selected  

> select up

18751 atoms, 18957 bonds, 1219 residues, 1 model selected  

> select up

18787 atoms, 18992 bonds, 1221 residues, 1 model selected  

> select up

19891 atoms, 20097 bonds, 1289 residues, 1 model selected  

> select down

18787 atoms, 18992 bonds, 1221 residues, 1 model selected  

> select down

18751 atoms, 18957 bonds, 1219 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select #4/A:1079

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

97 atoms, 96 bonds, 7 residues, 1 model selected  

> select up

4548 atoms, 4603 bonds, 290 residues, 1 model selected  

> select up

4607 atoms, 4662 bonds, 294 residues, 1 model selected  

> select up

18208 atoms, 18410 bonds, 1184 residues, 1 model selected  

> select up

18314 atoms, 18516 bonds, 1191 residues, 1 model selected  

> select up

18703 atoms, 18909 bonds, 1216 residues, 1 model selected  

> select up

18851 atoms, 19065 bonds, 1218 residues, 1 model selected  

> select up

20139 atoms, 20361 bonds, 1290 residues, 1 model selected  

> select down

18851 atoms, 19065 bonds, 1218 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

Drag select of 55 atoms, 59 bonds  

> delete atoms sel

> delete bonds sel

> hide #!4 models

> show #!3 models

> select #3/A:1899

15 atoms, 14 bonds, 1 residue, 1 model selected  

> select up

157 atoms, 159 bonds, 10 residues, 1 model selected  

> select up

13661 atoms, 13808 bonds, 894 residues, 1 model selected  

> select up

13813 atoms, 13959 bonds, 904 residues, 1 model selected  

> select up

18704 atoms, 18910 bonds, 1216 residues, 1 model selected  

> select up

18852 atoms, 19066 bonds, 1218 residues, 1 model selected  

> select up

38891 atoms, 39319 bonds, 2509 residues, 1 model selected  

> select down

18852 atoms, 19066 bonds, 1218 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> undo

Undo failed, probably because structures have been modified.  

> select #3/B:1840

20 atoms, 20 bonds, 1 residue, 1 model selected  

> select up

162 atoms, 163 bonds, 10 residues, 1 model selected  

> select up

13661 atoms, 13808 bonds, 894 residues, 1 model selected  

> select up

13781 atoms, 13927 bonds, 902 residues, 1 model selected  

> select up

18751 atoms, 18957 bonds, 1219 residues, 1 model selected  

> select down

13781 atoms, 13927 bonds, 902 residues, 1 model selected  

> select up

18751 atoms, 18957 bonds, 1219 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

Drag select of 55 atoms, 59 bonds  
[Repeated 1 time(s)]

> delete atoms sel

> delete bonds sel

Drag select of 55 atoms, 59 bonds  

> delete atoms sel

> delete bonds sel

> hide #!3 models

> show #!4 models

> select #4/B:2512@O1A

1 atom, 1 residue, 1 model selected  

> select up

74 atoms, 78 bonds, 1 residue, 1 model selected  

> delete atoms sel

> delete bonds sel

> show #!3 models

> hide #!3 models

> hide #!4 models

> show #!1 models

> select #1/B:2185

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select up

157 atoms, 156 bonds, 9 residues, 1 model selected  

> select up

1140 atoms, 1140 bonds, 70 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/250515_ACP-DH-ER-comparison.cxs"

> show #!3 models

> show #!4 models

> hide #!3 models

> hide #!4 models

> surface #1

> transparency #1 80

> transparency #1 50

> ui tool show "Surface Color"

> color single #1.2

> ui tool show "Color Actions"

> color light gray target s

> transparency #1 50

> transparency #1 30

> color surfacemap

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color surfacemap fromcartoon

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color fromribbons #1

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

> color surface fromribbons #1

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color surface fromcartoons #1

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color romcartoons surface #1

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> color fromcartoons surfaces #1

Expected ',' or a keyword  

> color fromcartoons surfaces

> show #!3 models

> show #!4 models

> hide #!4 models

> hide #!3 models

> show #!4 models

> hide #!4 models

> show #!3 models

> hide #!3 models

> show #!4 models

> show #!3 models

> hide #!4 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/250515_ACP-DH-ER-comparison.cxs"

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Sequences and
> Structures/hFASN_NADPH_State1_Model.pdb"

Chain information for hFASN_NADPH_State1_Model.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> hide #!1 models

> hide #!3 models

> color #5 gray

> hide #!5 models

> show #!4 models

> hide #!4 models

> show #!5 models

> color #5/A:1-406 #2a3890

> color #5/B:1-406 #2a3890

> color #5/A:491-815 #8cc63f

> color #5/B:491-815 #8cc63f

> color #5/A:859-1101 #f26521

> color #5/B:859-1101 #f26521

> color #5/A:1115-1404 #ff0000

> color #5/B:1115-1404 #ff0000

> color #5/A:1413-1518 #228B22

> color #5/B:1413-1518 #228B22

> color #5/A:1525-1855 #ffde17

> color #5/B:1525-1855 #ffde17

> color #5/A:1886-2108 #006838

> color #5/B:1886-2108 #006838

> color #5/A:2127-2192 #ee2b7b

> color #5/B:2127-2192 #ee2b7b

> color #5 fromcartoons surfaces

> surface #5

> color #5 fromcartoons surfaces

> show #!1 models

> hide #!1 models

> show #!3 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> hide #!3 models

> show #!3 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/250515_ACP-DH-ER-comparison.cxs"

——— End of log from Thu May 15 15:40:08 2025 ———

opened ChimeraX session  

> select #3/B:2186

22 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

157 atoms, 156 bonds, 9 residues, 1 model selected  

> select up

1140 atoms, 1140 bonds, 70 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #8f71ff intraModel false distSlop 1.5 intraMol false
> intraRes false reveal true

75 hydrogen bonds found  

> show #!1 models

> hide #6 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> hide #!3 models

> show #!2 models

> hide #!2 models

> show #!1 models

> show #!4 models

> show #!3 models

> hide #!4 models

> hbonds sel color #8f71ff intraModel false distSlop 1.5 intraMol false
> intraRes false reveal true

75 hydrogen bonds found  

> ui tool show "Side View"

> hide #!1 models

> hide #!3 models

> show #!2 models

> select #2/B:2162

16 atoms, 15 bonds, 1 residue, 1 model selected  

> select up

222 atoms, 221 bonds, 13 residues, 1 model selected  

> select up

1140 atoms, 1140 bonds, 70 residues, 1 model selected  

> hbonds sel color #8f71ff interModel false distSlop 1.5 intraMol false
> intraRes false reveal true

3 hydrogen bonds found  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP engaged with MAT.cxs"

Opened ACP-MAT_class6.mrc as #1, grid size 360,360,360, pixel 0.835, shown at
level 0.0042, step 1, values float32  
opened ChimeraX session  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP in transition.cxs"

Opened ACP_in_transition_class9.mrc as #1, grid size 360,360,360, pixel 0.835,
shown at level 0.00322, step 1, values float32  
opened ChimeraX session  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP engaged with MAT.cxs"

Opened ACP-MAT_class6.mrc as #1, grid size 360,360,360, pixel 0.835, shown at
level 0.0042, step 1, values float32  
opened ChimeraX session  

> hide #!1 models

> color #2/A:1-406 #2a3890

> color #2/B:1-406 #2a3890

> color #2/A:491-815 #8cc63f

> color #2/B:491-815 #8cc63f

> color #2/A:859-1101 #f26521

> color #2/B:859-1101 #f26521

> color #3/A:1-406 #2a3890

> color #3/B:1-406 #2a3890

> color #3/A:491-815 #8cc63f

> color #3/B:491-815 #8cc63f

> color #3/A:859-1101 #f26521

> color #3/B:859-1101 #f26521

> color #2:2127-2192 #ee2b7b

> color #2/A:2127-2192 #ee2b7b

> color #2 #ee2b7b

> surface #2-3

> transparency #2-3 80

> select #2/A:38@N

1 atom, 1 residue, 1 model selected  

> show sel atoms

> select clear

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> lighting flat

> lighting full

> lighting shadows false

> lighting shadows true

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting full

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting shadows true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT.cxs"

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT.png" width 1344 height 850 supersample 3
> transparentBackground true

> view view1

Expected an objects specifier or a view name or a keyword  

> view name view1

> view list

Named views: view1  

> view view1

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/ACP-highlight_structures/250205_KR-
> studies.cxs"

opened ChimeraX session  

> view list

Named views: view2, view3, view4  

> view view2

> view view3

> view view4

> view view2

> hide #!2 models

> select #4/A:111

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

103 atoms, 105 bonds, 12 residues, 1 model selected  

> select up

1777 atoms, 1799 bonds, 235 residues, 1 model selected  

> ui tool show "Color Actions"

> color sel cornflower blue

> select #4/B:117

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

112 atoms, 112 bonds, 15 residues, 1 model selected  

> select up

1379 atoms, 1396 bonds, 183 residues, 1 model selected  

> color sel cyan

> select up

1688 atoms, 1708 bonds, 224 residues, 1 model selected  

> select down

1379 atoms, 1396 bonds, 183 residues, 1 model selected  

> select up

1688 atoms, 1708 bonds, 224 residues, 1 model selected  

> color sel cyan

> select #4/G:44

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

91 atoms, 90 bonds, 12 residues, 1 model selected  

> select up

538 atoms, 542 bonds, 70 residues, 1 model selected  

> color sel purple

> select clear

> select #4/G:44

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select ~sel & ##selected

4032 atoms, 4077 bonds, 75 pseudobonds, 530 residues, 4 models selected  

> select up

4034 atoms, 4077 bonds, 75 pseudobonds, 531 residues, 4 models selected  

> hide sel atoms

> select clear

> select #4/G:36

6 atoms, 5 bonds, 1 residue, 1 model selected  

> show sel atoms

> select clear

> select ::name="4HH"

33 atoms, 31 bonds, 2 residues, 2 models selected  

> show #!4 atoms

> undo

> select ::name="4HH"::name="HOH"::name="NAP"::name="UHC"

236 atoms, 193 bonds, 6 pseudobonds, 53 residues, 5 models selected  

> show sel & #!4 atoms

> select clear

> show #!1 models

> hide #!1 models

> select #4/B:120

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

112 atoms, 112 bonds, 15 residues, 1 model selected  

> select up

1379 atoms, 1396 bonds, 183 residues, 1 model selected  

> select up

1688 atoms, 1708 bonds, 224 residues, 1 model selected  

> color sel #6d96fbff

> color sel #6d94fbff

> color sel #6d89fbff

> color sel #6d72fbff

> color sel #6d67fbff

> color sel #6d5efbff

> color sel #6d51fbff

> color sel #6d4efbff

> color sel #6d4afbff

> color sel #6d49fbff

> color sel #6d4afbff

> color sel #6d49fbff

> color sel #6d45fbff

> color sel #6d36fbff

> color sel #6d28fbff

> color sel #6d24fbff

> color sel #6d22fbff

> color sel #6d23fbff

> color sel #6d24fbff

> color sel #6d25fbff

> color sel #6d24fbff

> color sel #6d23fbff

> color sel #6d22fbff

> color sel #6d21fbff

> color sel #6d20fbff

> color sel #6d1ffbff

> color sel #6d1efbff

> color sel #6d1dfbff

> color sel #6d1afbff

> color sel #6d16fbff

> color sel #6d13fbff

> color sel #6d0ffbff

> color sel #6d10fbff

> color sel #6d0ffbff

> color sel #6d0efbff

> color sel #6d0dfbff

> color sel #6d0cfbff

> color sel #6d0afbff

> color sel #6d09fbff

> color sel #6d07fbff

> color sel #6d06fbff

> color sel #6d05fbff

> color sel #6d04fbff

> color sel #6d03fbff

> color sel #6d05fbff

> select clear

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR.cxs"

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_1.png" width 1344 height 850 supersample 4
> transparentBackground true

> show #!1 models

> select #1/A:1423

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select up

109 atoms, 111 bonds, 6 residues, 1 model selected  

> select up

1638 atoms, 1655 bonds, 106 residues, 1 model selected  

> select up

4833 atoms, 4876 bonds, 315 residues, 1 model selected  

> select down

1638 atoms, 1655 bonds, 106 residues, 1 model selected  

> color sel #008744ff

> color sel #048744ff

> color sel #0b8744ff

> color sel #228744ff

> color sel #288744ff

> color sel #338744ff

> color sel #3d8744ff

> color sel #468744ff

> color sel #4a8744ff

> color sel #548744ff

> color sel #598744ff

> color sel #628744ff

> color sel #6a8744ff

> color sel #6f8744ff

> color sel #718744ff

> color sel #748744ff

> color sel #778744ff

> color sel #788744ff

> color sel #798744ff

> color sel #7d8744ff

> color sel #808744ff

> color sel #898744ff

> color sel #908744ff

> color sel #918744ff

> color sel #918944ff

> color sel #919644ff

> color sel #919d44ff

> color sel #919f44ff

> color sel #91a044ff

> color sel #91a144ff

> color sel #91a344ff

> color sel #91a844ff

> color sel #91aa44ff

> color sel #91ab44ff

> color sel #91aa44ff

> color sel #91a944ff

> color sel #91a844ff

> color sel #91a744ff

> color sel #91a444ff

> color sel #91a244ff

> color sel #919e44ff

> color sel #919d44ff

> color sel #919c44ff

> color sel #919a44ff

> color sel #919944ff

> color sel #919844ff

> color sel #919744ff

> color sel #919644ff

> color sel #919444ff

> color sel #919244ff

> color sel #919044ff

> color sel #918d44ff

> color sel #918c44ff

> color sel #918d44ff

> color sel #918e44ff

> color sel #918f44ff

> color sel #919044ff

> color sel #918f44ff

> color sel #918b44ff

> color sel #916d44ff

> color sel #915f44ff

> color sel #915a44ff

> color sel #915944ff

> color sel #915844ff

> color sel #915244ff

> color sel #914844ff

> color sel #913d44ff

> color sel #913544ff

> color sel #913244ff

> color sel #913344ff

> color sel #913444ff

> color sel #913544ff

> color sel #913844ff

> color sel #913c44ff

> color sel #914044ff

> color sel #914344ff

> color sel #914a44ff

> color sel #914f44ff

> color sel #915d44ff

> color sel #916b44ff

> color sel #917144ff

> color sel #917944ff

> color sel #917c44ff

> color sel #917e44ff

> color sel #918044ff

> color sel #918844ff

> color sel #918843ff

> color sel #918841ff

> color sel #91883eff

> color sel #91883bff

> color sel #918839ff

> color sel #918837ff

> color sel #918835ff

> color sel #918834ff

> color sel #918832ff

> color sel #918830ff

> color sel #91882fff

> color sel #91882eff

> color sel #91882dff

> color sel #91882aff

> color sel #918827ff

> color sel #918826ff

> color sel #918827ff

> color sel #918828ff

> color sel #918827ff

> color sel #918825ff

> color sel #918821ff

> select clear

> show #!2 models

> select #4/B:117

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select up

112 atoms, 112 bonds, 15 residues, 1 model selected  

> select up

1379 atoms, 1396 bonds, 183 residues, 1 model selected  

> select up

1688 atoms, 1708 bonds, 224 residues, 1 model selected  

> color sel #5e00c5ff

> color sel #5e00caff

> color sel #5e00cdff

> color sel #5e00d2ff

> color sel #5e00d6ff

> color sel #5e00daff

> color sel #5e00e1ff

> color sel #5e00e4ff

> color sel #5e00e5ff

> color sel #5e00e6ff

> color sel #5e00ebff

> color sel #5e00eeff

> color sel #5e00f0ff

> color sel #5e00f1ff

> color sel #5e00f6ff

> color sel #5e00fdff

> color sel #5e00ffff

> color sel #5e01ffff

> color sel #5e16ffff

> color sel #5e1effff

> color sel #5e2affff

> color sel #5e2effff

> color sel #5e2fffff

> color sel #5e31ffff

> color sel #5e39ffff

> color sel #5e41ffff

> color sel #5e4effff

> color sel #5e4fffff

> color sel #5e50ffff

> color sel #5e4fffff

> color sel #5e4effff

> color sel #5e4dffff

> color sel #5e48ffff

> color sel #5e44ffff

> color sel #5e3cffff

> color sel #5e37ffff

> color sel #5e36ffff

> color sel #5e34ffff

> color sel #5e32ffff

> color sel #5e2dffff

> color sel #5e2bffff

> color sel #5e2affff

> color sel #5e29ffff

> color sel #5e2affff

> color sel #5e2bffff

> color sel #5e2cffff

> color sel #5e2dffff

> color sel #5e2effff

> color sel #5e2fffff

> color sel #5e30ffff

> color sel #5e32ffff

> color sel #5e33ffff

> color sel #5e34ffff

> color sel #5e35ffff

> color sel #5e36ffff

> color sel #5e37ffff

> color sel #5e36ffff

> color sel #5e35ffff

> color sel #5e34ffff

> color sel #5e33ffff

> color sel #5c33ffff

> color sel #5833ffff

> color sel #5533ffff

> color sel #5433ffff

> color sel #5333ffff

> color sel #5233ffff

> color sel #5133ffff

> color sel #4f33ffff

> color sel #4e33ffff

> color sel #4d33ffff

> select clear

> select #1/A:1423

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select up

109 atoms, 111 bonds, 6 residues, 1 model selected  

> select up

1638 atoms, 1655 bonds, 106 residues, 1 model selected  

> color sel #4d33ffff

> color sel #228b22ff

> select clear

> select #1/A:1423

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select up

109 atoms, 111 bonds, 6 residues, 1 model selected  

> select up

1638 atoms, 1655 bonds, 106 residues, 1 model selected  

> color sel #228b22ff

> color sel #238b22ff

> color sel #248b22ff

> color sel #258b22ff

> color sel #278b22ff

> color sel #288b22ff

> color sel #2a8b22ff

> color sel #2b8b22ff

> color sel #2c8b22ff

> color sel #2d8b22ff

> color sel #2e8b22ff

> color sel #2f8b22ff

> color sel #318b22ff

> color sel #328b22ff

> color sel #348b22ff

> color sel #388b22ff

> color sel #3a8b22ff

> color sel #3b8b22ff

> color sel #3c8b22ff

> color sel #3d8b22ff

> color sel #418b22ff

> color sel #468b22ff

> color sel #488b22ff

> color sel #4b8b22ff

> color sel #4c8b22ff

> color sel #4d8b22ff

> color sel #4e8b22ff

> color sel #4f8b22ff

> color sel #508b22ff

> color sel #518b22ff

> color sel #528b22ff

> color sel #538b22ff

> color sel #548b22ff

> color sel #558b22ff

> color sel #568b22ff

> color sel #578b22ff

> color sel #588b22ff

> color sel #598b22ff

> color sel #5a8b22ff

> color sel #5b8b22ff

> color sel #5c8b22ff

> color sel #5d8b22ff

> color sel #5e8b22ff

> color sel #5f8b22ff

> color sel #5e8b22ff

> color sel #5d8b22ff

> color sel #5c8b22ff

> color sel #5b8b22ff

> color sel #5a8b22ff

> color sel #598b22ff

> color sel #588b22ff

> color sel #598b22ff

> color sel #5a8b22ff

> color sel #5b8b22ff

> color sel #5a8b22ff

> color sel #5b8b22ff

> color sel #5c8b22ff

> color sel #5d8b22ff

> color sel #5e8b22ff

> color sel #608b22ff

> color sel #638b22ff

> color sel #658b22ff

> color sel #668b22ff

> color sel #698b22ff

> color sel #6a8b22ff

> color sel #6d8b22ff

> color sel #6f8b22ff

> color sel #708b22ff

> color sel #718b22ff

> color sel #738b22ff

> color sel #748b22ff

> color sel #768b22ff

> color sel #778b22ff

> color sel #788b22ff

> color sel #798b22ff

> color sel #7a8b22ff

> color sel #7b8b22ff

> color sel #7c8b22ff

> color sel #7d8b22ff

> color sel #7e8b22ff

> color sel #7d8b22ff

> color sel #7c8b22ff

> color sel #7b8b22ff

> color sel #758b22ff

> color sel #708b22ff

> color sel #628b22ff

> color sel #618b22ff

> color sel #608b22ff

> color sel #5f8b22ff

> color sel #5e8b22ff

> color sel #5d8b22ff

> color sel #5c8b22ff

> color sel #5b8b22ff

> color sel #5a8b22ff

> color sel #598b22ff

> color sel #588b22ff

> color sel #568b22ff

> color sel #558b22ff

> color sel #548b22ff

> color sel #528b22ff

> color sel #518b22ff

> color sel #508b22ff

> color sel #4f8b22ff

> color sel #4e8b22ff

> color sel #4d8b22ff

> color sel #4c8b22ff

> color sel #4d8b22ff

> color sel #4e8b22ff

> color sel #4f8b22ff

> color sel #508b22ff

> color sel #518b22ff

> color sel #528b22ff

> color sel #518b22ff

> color sel #538b22ff

> color sel #548b22ff

> color sel #588b22ff

> color sel #598b22ff

> color sel #5a8b22ff

> color sel #5b8b22ff

> color sel #5c8b22ff

> color sel #5d8b22ff

> color sel #5e8b22ff

> color sel #5f8b22ff

> color sel #618b22ff

> color sel #628b22ff

> color sel #638b22ff

> color sel #648b22ff

> color sel #668b22ff

> color sel #678b22ff

> color sel #688b22ff

> color sel #698b22ff

> color sel #6a8b22ff

> color sel #698b22ff

> select clear

> hide #!1-2,4 atoms

> select ::name="4HH"::name="HOH"::name="NAP"::name="UHC"

236 atoms, 193 bonds, 6 pseudobonds, 53 residues, 5 models selected  

> show sel & #!2,4 atoms

> undo

> show sel & #!2,4 atoms

> select clear

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_2.png" width 1344 height 850 supersample 4
> transparentBackground true

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #6 models

> hide #6 models

> view list

Named views: view2, view3, view4  

> view view3

> view view4

> view view3

> view view4

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!4 models

> show #!4 models

> hide #!2 models

> show #!1 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> select #4/G:38

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select up

91 atoms, 90 bonds, 12 residues, 1 model selected  

> select up

538 atoms, 542 bonds, 70 residues, 1 model selected  

> ui tool show Contacts

> contacts sel interModel false intraMol false ignoreHiddenModels true reveal
> true

43 contacts  

> view view2

> select clear

> select add #4/B:176@CZ

1 atom, 1 bond, 1 residue, 1 model selected  

> select add #4/G:37@CG

2 atoms, 1 bond, 2 residues, 1 model selected  

> select add #4/G:40@CB

3 atoms, 1 bond, 3 residues, 1 model selected  

> select add #4/G:56@CG

4 atoms, 2 bonds, 4 residues, 1 model selected  

> select add #4/G:36@CB

5 atoms, 2 bonds, 5 residues, 1 model selected  

> select up

19 atoms, 7 bonds, 12 residues, 1 model selected  

> select up

99 atoms, 92 bonds, 12 residues, 1 model selected  

> color sel byhetero

> select clear

> select up

2 atoms, 1 bond, 1 residue, 1 model selected  

> select up

6 atoms, 5 bonds, 1 residue, 1 model selected  

> color sel byhetero

> select clear

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_.png" width 1344 height 850 supersample 3

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_3.png" width 1344 height 850 supersample 4
> transparentBackground true

> view name view5

> show #!1 models

> show #!2 models

> hide #!4 models

> select #2/B:2164

17 atoms, 16 bonds, 1 residue, 1 model selected  

> select up

247 atoms, 246 bonds, 15 residues, 1 model selected  

> select up

1051 atoms, 1051 bonds, 66 residues, 1 model selected  

> contacts sel intraModel false intraMol false ignoreHiddenModels true reveal
> true

103 contacts  

> select H

3498 atoms, 19 pseudobonds, 445 residues, 4 models selected  

> hide sel & #!1-2 atoms

> select clear

> select #2/B:2160@CG2

1 atom, 1 residue, 1 model selected  

> select add #2/B:2157@CB

1 atom, 3 bonds, 1 residue, 2 models selected  

> select add #2/B:2156@CB

2 atoms, 3 bonds, 2 residues, 2 models selected  

> select up

8 atoms, 3 bonds, 5 residues, 2 models selected  

> select up

70 atoms, 67 bonds, 5 residues, 2 models selected  

> color sel byhetero

> select clear

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_4.png" width 1344 height 850 supersample 4
> transparentBackground true

> hide #!1 models

> hide #!2 models

> show #!3 models

> hide #!3 models

> show #!4 models

> show #!2 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR.cxs"

> graphics silhouettes true

> set bgColor white

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> lighting full

> lighting shadows false

> lighting shadows true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> lighting shadows false

> view list

Named views: view2, view3, view4, view5  

> view view5

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> graphics silhouettes false

> graphics silhouettes true

> view view2

> hide #!2,4 atoms

> select ::name="4HH"::name="HOH"::name="NAP"::name="UHC"

236 atoms, 193 bonds, 6 pseudobonds, 53 residues, 5 models selected  

> show sel & #!2,4 atoms

> select clear

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_5.png" width 1344 height 850 supersample 4
> transparentBackground true

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_5.png" width 5500 height 3478 supersample 4
> transparentBackground true

> show #!1 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KR_6.png" width 5500 height 3478 supersample 4
> transparentBackground true

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP engaged with MAT.cxs"

Opened ACP-MAT_class6.mrc as #1, grid size 360,360,360, pixel 0.835, shown at
level 0.0042, step 1, values float32  
opened ChimeraX session  

> hide #2 models

> hide #3 models

> show #3 models

> color #1 #b2b2b26f models

> color #1 #b2b2b275 models

> color #1 #b2b2b274 models

> show #2 models

> hide #2 models

> show #2 models

> hide #2 models

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/ACP-
> highlight_structures/hFASN_NADPH_State1_Model.pdb"

Chain information for hFASN_NADPH_State1_Model.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> hide #3 models

> hide #!4 models

> show #3 models

> open "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250516_DH-ER-ACP-comparison.cxs"

opened ChimeraX session  

> show #!1 models

> hide #!1 models

> show #!5 models

> graphics silhouettes true

> lighting shadows false

> lighting shadows true

> lighting full

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_2.cxs"

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP engaged with MAT.cxs"

Opened ACP-MAT_class6.mrc as #1, grid size 360,360,360, pixel 0.835, shown at
level 0.0042, step 1, values float32  
opened ChimeraX session  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/ACP-
> highlight_structures/hFASN_NADPH_State1_Model.pdb"

Chain information for hFASN_NADPH_State1_Model.pdb #4  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> combine #4

> hide #!4 models

> color #5 gray

> color #5/A:1-406 #2a3890

> color #5/B:1-406 #2a3890

> color #5/A:491-815 #8cc63f

> color #5/B:491-815 #8cc63f

> color #5/A:859-1101 #f26521

> color #5/B:859-1101 #f26521

> color #5/A:1115-1404 #ff0000

> color #5/B:1115-1404 #ff0000

> color #5/A:1413-1518 #228B22

> color #5/B:1413-1518 #228B22

> color #5/A:1525-1855 #ffde17

> color #5/B:1525-1855 #ffde17

> color #5/A:1886-2108 #006838

> color #5/B:1886-2108 #006838

> color #5/A:2127-2192 #ee2b7b

> color #5/B:2127-2192 #ee2b7b

> matchmaker #3 to #5 bring #1

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker copy of hFASN_NADPH_State1_Model.pdb, chain A (#5) with
condensing_monomer.pdb, chain B (#3), sequence alignment score = 4212  
RMSD between 826 pruned atom pairs is 0.671 angstroms; (across all 854 pairs:
1.106)  
  

> hide #2 models

> show #2 models

> undo

> redo

> color #1 #21b2b2ff models

> color #1 #21b2b237 models

> color #1 #21b2b238 models

> color #1 #21b2b237 models

> hide #2 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> show #3 models

> hide #3 models

> color #3/A:1-406 #2a3890

> color #3/B:1-406 #2a3890

> color #3/A:491-815 #8cc63f

> color #3/B:491-815 #8cc63f

> color #3/A:859-1101 #f26521

> color #3/B:859-1101 #f26521

> show #3 models

> hide #!5 models

> show #!5 models

> hide #!1 models

> hide #3 models

> view name view1

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_2.cxs"

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_2.png" width 5500 height 3478 supersample 4
> transparentBackground true

> lighting simple

> lighting shadows true

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting simple

> lighting soft

> lighting shadows true intensity 0.5

> lighting shadows false

> lighting shadows true

> lighting shadows false

> lighting flat

> graphics silhouettes false

> graphics silhouettes true

> lighting full

> lighting shadows false

> lighting shadows true

> lighting shadows false

> hide #!5 models

> show #3 models

> show #!1 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_3.png" width 5500 height 3478 supersample 4
> transparentBackground true

> turn x 25

> turn x -25

> view name view2

> view list

Named views: view1, view2  

> view view2

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_4.png" width 5500 height 3478 supersample 4
> transparentBackground true

> view view1

> hide #3 models

> hide #!1 models

> show #!4 models

> hide #!4 models

> show #!5 models

> color #5/A:1413-1518 #698B22

> color #5/B:1413-1518 #698B22

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_5.png" width 5500 height 3478 supersample 4
> transparentBackground true

> show #!4 models

> hide #!5 models

> hide #!4 models

> show #3 models

> show #!1 models

> view list

Named views: view1, view2  

> view view2

> color #1 #21b2b280 models

> color #1 #21b2b266 models

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-MAT_6.png" width 5500 height 3478 supersample 4
> transparentBackground true

> show #2 models

> select ::name="NDP"

592 atoms, 624 bonds, 8 residues, 2 models selected  

> show #2-3 atoms

> undo

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Sequences and Structures/250203_acp-
> highlight_structures.cxs"

Opened ACP-KS_position2_class1.mrc as #1, grid size 360,360,360, pixel 0.835,
shown at level 0.00388, step 1, values float32  
Opened ACP-KS_position1_class5.mrc as #2, grid size 360,360,360, pixel 0.835,
shown at level 0.0043, step 1, values float32  
opened ChimeraX session  

> show #!2 models

> hide #!2 models

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Nature_ACP 241123/ACP engaged with KS.cxs"

Opened ACP-KS_position2_class1.mrc as #1, grid size 360,360,360, pixel 0.835,
shown at level 0.00388, step 1, values float32  
Opened ACP-KS_position1_class5.mrc as #2, grid size 360,360,360, pixel 0.835,
shown at level 0.0043, step 1, values float32  
opened ChimeraX session  

> ui tool show "Side View"

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #3 models

> hide #4 models

> show #4 models

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/ACP-
> highlight_structures/hFASN_NADPH_State1_Model.pdb"

Chain information for hFASN_NADPH_State1_Model.pdb #5  
---  
Chain | Description  
A | No description available  
B | No description available  
  

> matchmaker #4 to #5 bring #1,#2,#3

Invalid "bring" argument: only initial part "#1" of atom specifier valid  

> matchmaker #4 to #5 bring #1#2#3

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker hFASN_NADPH_State1_Model.pdb, chain A (#5) with
condensing_domain.pdb, chain A (#4), sequence alignment score = 4209  
RMSD between 826 pruned atom pairs is 0.671 angstroms; (across all 854 pairs:
1.106)  
  

> open "/Volumes/grininger_shared/RUNNER/Chris/Reports:
> Paper/2024:2_paper_ACP-highlight/Sequences and Structures/KS-ACP-model.pdb"

Chain information for KS-ACP-model.pdb #6  
---  
Chain | Description  
B | No description available  
C D | No description available  
  

> matchmaker #6 to #5

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker hFASN_NADPH_State1_Model.pdb, chain B (#5) with KS-ACP-model.pdb,
chain B (#6), sequence alignment score = 4420.5  
Fewer than 3 residues aligned; cannot match hFASN_NADPH_State1_Model.pdb,
chain B with KS-ACP-model.pdb, chain B  

> ui tool show "Show Sequence Viewer"

> sequence chain #6/B

Alignment identifier is 6/B  

> ui tool show "Show Sequence Viewer"

> sequence chain #6/C

Alignment identifier is 6/C  

> matchmaker #6/C to #5/A

Computing secondary structure  
Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker hFASN_NADPH_State1_Model.pdb, chain A (#5) with KS-ACP-model.pdb,
chain C (#6), sequence alignment score = 4209  
RMSD between 826 pruned atom pairs is 0.671 angstroms; (across all 854 pairs:
1.106)  
  

> hide #!2 models

> show #!2 models

> hide #!5 models

> color gray #5#6 ;

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

> color gray #5#6

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

> color gray #5

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

> color #5 gray

> color #6 gray

> color #6/A:1-406 #2a3890

> color #6/B:1-406 #2a3890

> color #6/A:491-815 #8cc63f

> color #6/B:491-815 #8cc63f

> color #6/A:859-1101 #f26521

> color #6/B:859-1101 #f26521

> color #6/A:1115-1404 #ff0000

> color #6/B:1115-1404 #ff0000

> color #6:1-406 #2a3890

> color #6:491-815 #8cc63f

> color #6:859-1101 #f26521

> color #6:1115-1404 #ff0000

> color #2 #da8072ff models

> color #2 #da80e5ff models

> color #2 #dac9e5ff models

> color #2 #48c9e5ff models

> color #2 #48c9e566 models

> hide #4 models

> select clear

> color #6:2127-2192 #ee2b7b

> lighting full

> lighting shadows false

> lighting shadows true

> graphics silhouettes false

> graphics silhouettes true

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS.cxs"

> view name view1

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS.png" width 5500 height 3478 supersample 4
> transparentBackground true

> view name view2

> view name view1

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS.png" width 5500 height 3478 supersample 3
> transparentBackground true

> turn z 180

> turn y 180

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS_2.png" width 1344 height 850 supersample 3

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS_2.png" width 5500 height 3478 supersample 3
> transparentBackground true

> turn y 180

> turn x 25

> turn x -25

> turn x 25

> view name view2

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS_3.png" width 5500 height 3478 supersample 3
> transparentBackground true

> hide #!2 models

> show #6 surfaces

> transparency #6 30

> transparency #6 50

> transparency #6 60

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS_4.png" width 5500 height 3478 supersample 3
> transparentBackground true

> turn x -25

> view name view3

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS_5.png" width 5500 height 3478 supersample 3
> transparentBackground true

> save "/Users/Chris/Local-backup/Reports: Paper/2024:2_paper_ACP-
> highlight/Figures/250519_ACP-KS.cxs"

> select #6/B:2186@HB2

1 atom, 1 residue, 1 model selected  

> select up

22 atoms, 21 bonds, 1 residue, 2 models selected  

> select up

157 atoms, 156 bonds, 9 residues, 2 models selected  

> select up

1140 atoms, 1140 bonds, 70 residues, 2 models selected  

> hide sel surfaces

> ui tool show Contacts

> contacts sel intraModel false intraMol false ignoreHiddenModels true reveal
> true

No contacts  

> contacts sel interModel false intraMol false ignoreHiddenModels true reveal
> true

102 contacts  

> hide #7 models


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

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

> open /Users/Chris/Downloads/8vm0.cif

Summary of feedback from opening /Users/Chris/Downloads/8vm0.cif  
---  
note | Fetching CCD NDP from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/NDP/NDP.cif  
  
8vm0.cif title:  
Composite structure of human FASN with NADPH in State 4 [more info...]  
  
Chain information for 8vm0.cif #1  
---  
Chain | Description | UniProt  
A B | Fatty acid synthase | FAS_HUMAN 2-2511  
  
Non-standard residues in 8vm0.cif #1  
---  
NDP — nadph dihydro-nicotinamide-adenine-dinucleotide phosphate  
  




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

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

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro17,1
      Model Number: MYDA2D/A
      Chip: Apple M1
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 8 GB
      System Firmware Version: 11881.101.1
      OS Loader Version: 11881.101.1

Software:

    System Software Overview:

      System Version: macOS 15.4.1 (24E263)
      Kernel Version: Darwin 24.4.0
      Time since boot: 13 Tage, 23 Stunden und 52 Minuten

Graphics/Displays:

    Apple M1:

      Chipset Model: Apple M1
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        G276HL:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: Supported


Installed Packages:
    alabaster: 1.0.0
    anyio: 4.7.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.0
    auditwheel: 6.1.0
    babel: 2.16.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 3.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4.post1
    charset-normalizer: 3.4.0
    ChimeraX-AddCharge: 1.5.18
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.16.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.58.8
    ChimeraX-AtomicLibrary: 14.1.11
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.4.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.9
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.4
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.6
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.4.1
    ChimeraX-Hbonds: 2.5
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.3
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.2.1
    ChimeraX-Label: 1.1.14
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.3
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.6
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.2
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.18
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.14
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.6
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.2
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.6
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.14
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.0
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.18.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.41
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.1
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.4
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.3.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.9
    decorator: 5.1.1
    docutils: 0.21.2
    executing: 2.1.0
    filelock: 3.15.4
    fonttools: 4.55.3
    funcparserlib: 2.0.0a0
    glfw: 2.8.0
    grako: 3.16.5
    h11: 0.14.0
    h5py: 3.12.1
    html2text: 2024.2.26
    httpcore: 1.0.7
    httpx: 0.28.1
    idna: 3.10
    ihm: 1.3
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jedi: 0.19.1
    Jinja2: 3.1.4
    jupyter_client: 8.6.2
    jupyter_core: 5.7.2
    jupyterlab_widgets: 3.0.13
    kiwisolver: 1.4.7
    line_profiler: 4.1.3
    lxml: 5.2.2
    lz4: 4.3.3
    MarkupSafe: 3.0.2
    matplotlib: 3.9.2
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    ndindex: 1.9.2
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.2
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.4.0
    pip: 24.2
    pkginfo: 1.11.1
    platformdirs: 4.3.6
    prompt_toolkit: 3.0.48
    psutil: 6.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pyelftools: 0.31
    Pygments: 2.18.0
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.2.0
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.7.1
    PyQt6-Qt6: 6.7.3
    PyQt6-WebEngine-commercial: 6.7.0
    PyQt6-WebEngine-Qt6: 6.7.3
    PyQt6-WebEngineSubwheel-Qt6: 6.7.3
    PyQt6_sip: 13.8.0
    python-dateutil: 2.9.0.post0
    pytz: 2024.2
    pyzmq: 26.2.0
    qtconsole: 5.5.2
    QtPy: 2.4.2
    qtshim: 1.0
    RandomWords: 0.4.0
    requests: 2.32.3
    scipy: 1.14.0
    setuptools: 72.1.0
    sfftk-rw: 0.8.1
    six: 1.16.0
    sniffio: 1.3.1
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.6
    Sphinx: 8.0.2
    sphinx-autodoc-typehints: 2.2.3
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.10.1
    tcia_utils: 1.5.1
    tifffile: 2024.7.24
    tinyarray: 1.2.4
    tornado: 6.4.2
    traitlets: 5.14.3
    typing_extensions: 4.12.2
    tzdata: 2024.2
    urllib3: 2.2.3
    wcwidth: 0.2.13
    webcolors: 24.6.0
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13

Change History (2)

comment:1 by Eric Pettersen, 5 months ago

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

comment:2 by Eric Pettersen, 5 months ago

Resolution: duplicate
Status: assignedclosed
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