Opened 7 hours ago

Closed 5 hours ago

#19766 closed defect (can't reproduce)

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-15.7.3-arm64-arm-64bit
ChimeraX Version: 1.11 (2025-12-17 06:45:39 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Current thread 0x00000001f302e240 (most recent call first):
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 56 in display
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 144 in show_save_file_dialog
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/save_command/dialog.py", line 133 in 
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 414 in event_loop
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1064 in init
  File "/Applications/ChimeraX-1.11.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1229 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, psutil._psutil_osx, psutil._psutil_posix, chimerax.surface._surface, PIL._imaging, chimerax.pdb_lib._load_libs, 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, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, PIL._imagingmath (total: 59)


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  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "Mac14,2",
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  "captureTime" : "2026-01-22 14:59:53.7998 -0700",
  "codeSigningMonitor" : 1,
  "incident" : "D791C58D-7C12-4EB0-86D7-89035CF319DB",
  "pid" : 1730,
  "translated" : false,
  "cpuType" : "ARM-64",
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  "procLaunch" : "2026-01-22 08:38:53.9338 -0700",
  "procStartAbsTime" : 71645756683,
  "procExitAbsTime" : 368638451064,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.11.0","CFBundleVersion":"1.11.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"19B1409A-0647-5024-A742-D289F8442506","thirdParty":true},
  "parentProc" : "launchd",
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  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "090AF90A-6E34-ECA0-0A97-F46B46199692",
  "appleIntelligenceStatus" : {"state":"available"},
  "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" : "293E2FCA-03B0-484B-8504-7236A1A6807C",
  "wakeTime" : 340,
  "sleepWakeUUID" : "395E8EE9-D364-4624-8911-5BD18B17C215",
  "sip" : "enabled",
  "vmRegionInfo" : "0x18 is not in any region.  Bytes before following region: 4369727464
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      10474c000-104750000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000018","rawCodes":[1,24],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000018"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":1730},
  "vmregioninfo" : "0x18 is not in any region.  Bytes before following region: 4369727464
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      UNUSED SPACE AT START
--->  
      __TEXT                      10474c000-104750000    [   16K] r-x\/r-x SM=COW  \/Applications\/ChimeraX-1.11.app\/Contents\/MacOS\/ChimeraX",
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    "base" : 6523125760,
    "size" : 636284,
    "uuid" : "e4e5cd37-5339-3136-b2c5-0c80f0720c26",
    "path" : "\/usr\/lib\/dyld",
    "name" : "dyld"
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    "source" : "A",
    "base" : 0,
    "uuid" : "00000000-0000-0000-0000-000000000000"
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],
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  "uuid" : "87b95872-5e6e-3168-a703-5f00925e0ab2"
},
  "vmSummary" : "ReadOnly portion of Libraries: Total=1.9G resident=0K(0%) swapped_out_or_unallocated=1.9G(100%)
Writable regions: Total=8.4G written=133.1M(2%) resident=4754K(0%) swapped_out=128.5M(2%) unallocated=8.2G(98%)

                                VIRTUAL   REGION 
REGION TYPE                        SIZE    COUNT (non-coalesced) 
===========                     =======  ======= 
Accelerate framework               256K        2 
Activity Tracing                   256K        1 
CG image                          1312K       57 
ColorSync                          608K       32 
CoreAnimation                     2912K      168 
CoreGraphics                        80K        4 
CoreGraphics (reserved)             16K        1         reserved VM address space (unallocated)
CoreUI image data                 5920K       53 
Foundation                          32K        2 
Kernel Alloc Once                   32K        1 
MALLOC                             7.7G      126 
MALLOC guard page                  288K       18 
Mach message                        64K        2 
OpenGL GLSL                        256K        3 
PROTECTED_MEMORY                    16K        1 
STACK GUARD                        688K       43 
Stack                            195.5M       44 
Stack Guard                       56.0M        1 
VM_ALLOCATE                      374.9M      244 
VM_ALLOCATE (reserved)            96.0M        1         reserved VM address space (unallocated)
__AUTH                            5518K      697 
__AUTH_CONST                      77.4M      944 
__CTF                               824        1 
__DATA                            33.6M     1071 
__DATA_CONST                      53.5M     1089 
__DATA_DIRTY                      2777K      342 
__FONT_DATA                        2352        1 
__GLSLBUILTINS                    5174K        1 
__INFO_FILTER                         8        1 
__LINKEDIT                       648.6M      139 
__OBJC_RO                         61.4M        1 
__OBJC_RW                         2397K        1 
__TEXT                             1.3G     1106 
__TEXT (graphics)                 1312K        3 
__TPRO_CONST                       128K        2 
dyld private memory               1840K       17 
mapped file                      302.6M       72 
page table in kernel              4754K        1 
shared memory                     3136K       24 
===========                     =======  ======= 
TOTAL                             10.9G     6317 
TOTAL, minus reserved VM space    10.8G     6317 
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===== Log before crash start =====
UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs

Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.495, step 1, values float32  
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0298, step 2, values float32  
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.00808, step 1, values float32  
Log from Tue Jan 20 09:48:17 2026UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc

Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32  

> open "/Users/shamiul/projects/fks1/Model
> Building/Coot/round19_real_space_refined_001-coot-44.pdb"

Summary of feedback from opening /Users/shamiul/projects/fks1/Model
Building/Coot/round19_real_space_refined_001-coot-44.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 9 9 ALA A 236 LYS A 242 1 7  
Start residue of secondary structure not found: HELIX 10 10 LYS A 244 MET A
247 1 4  
Start residue of secondary structure not found: HELIX 11 11 ALA A 255 ASP A
257 1 3  
Start residue of secondary structure not found: HELIX 12 12 ILE A 258 ASN A
260 1 3  
End residue of secondary structure not found: HELIX 64 64 ASN A 788 THR A 792
1 5  
End residue of secondary structure not found: HELIX 69 69 PRO A 867 GLU A 888
1 22  
Start residue of secondary structure not found: HELIX 70 70 ALA A 900 ASP A
906 1 7  
Start residue of secondary structure not found: HELIX 71 71 PHE A 910 ILE A
913 1 4  
Start residue of secondary structure not found: HELIX 96 96 PHE A 1239 ILE A
1242 1 4  
Start residue of secondary structure not found: HELIX 97 97 LEU A 1243 PHE A
1245 1 3  
Start residue of secondary structure not found: HELIX 98 98 THR A 1246 GLN A
1256 1 11  
End residue of secondary structure not found: HELIX 108 108 SER A 1385 ASP A
1403 1 19  
  
Chain information for round19_real_space_refined_001-coot-44.pdb #2  
---  
Chain | Description  
A | No description available  
  

> volume #1 level 0.5677

> select add #2

26286 atoms, 26649 bonds, 8 pseudobonds, 1636 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models #2,1,0,0,-40.366,0,1,0,75.715,0,0,1,45.059

> ui mousemode right "rotate selected models"

> view matrix models
> #2,-0.23585,-0.8656,-0.44171,370.28,0.9416,-0.091141,-0.32417,159.44,0.24034,-0.49237,0.83655,114.88

> view matrix models
> #2,-0.87113,-0.1611,-0.46386,357.53,0.42268,-0.72682,-0.54136,382.19,-0.24993,-0.66766,0.70126,243.46

> view matrix models
> #2,-0.7965,0.49136,0.35236,106.84,-0.5959,-0.73666,-0.31974,510.13,0.10246,-0.46464,0.87955,125.29

> ui mousemode right translate

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.7965,0.49136,0.35236,147.44,-0.5959,-0.73666,-0.31974,434.86,0.10246,-0.46464,0.87955,75.24

> view matrix models
> #2,-0.7965,0.49136,0.35236,156.43,-0.5959,-0.73666,-0.31974,440.13,0.10246,-0.46464,0.87955,75.704

> ui tool show "Fit in Map"

> fitmap #2 inMap #1

Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) using 26286 atoms  
average map value = 0.505, steps = 112  
shifted from previous position = 2.31  
rotated from previous position = 14.5 degrees  
atoms outside contour = 16699, contour level = 0.56771  
  
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66534498 0.63156314 0.39805034 104.96048430  
-0.71667873 -0.68964915 -0.10370951 419.37917810  
0.20901597 -0.35427681 0.91148246 37.72015838  
Axis -0.18100709 0.13655637 -0.97395523  
Axis point 135.48156726 190.61539580 0.00000000  
Rotation angle (degrees) 136.19963585  
Shift along axis 1.53255925  
  

> select clear

> volume #1 level 0.4976

> select clear

> molmap #2 16 onGrid #1

Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32  

> \

Unknown command: \  

> molmap #2 16 onGrid #1

Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32  

> volume #3 level 0.1386

> volume #3 level 0.1278

> volume #3 level 0.1516

> save /Users/shamiul/Desktop/protein1072.mrc models #3

> close #3

> open /Users/shamiul/Downloads/cryosparc_P23_J469_003_volume_map_sharp.mrc

Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0147, step 2, values float32  

> select add #3

2 models selected  

> ui mousemode right "rotate selected models"

> volume #3 level 0.04773

> view matrix models
> #3,-0.079636,0.51981,-0.85056,277.07,-0.97778,-0.20673,-0.03479,415.67,-0.19392,0.82889,0.52472,-22.468

> ui mousemode right "translate selected models"

> view matrix models
> #3,-0.079636,0.51981,-0.85056,291.89,-0.97778,-0.20673,-0.03479,408.22,-0.19392,0.82889,0.52472,18.485

> view matrix models
> #3,-0.079636,0.51981,-0.85056,307.4,-0.97778,-0.20673,-0.03479,392.49,-0.19392,0.82889,0.52472,9.5176

> ui mousemode right "rotate selected models"

> view matrix models
> #3,-0.74236,0.66559,-0.076754,248.06,-0.41506,-0.54679,-0.72715,490.4,-0.52595,-0.50796,0.68217,289.63

> view matrix models
> #3,0.99436,0.013795,0.10513,7.5729,-0.1047,-0.029291,0.99407,-12.114,0.016792,-0.99948,-0.027681,423.11

> view matrix models
> #3,0.98972,0.10493,0.097203,-6.9775,-0.085366,-0.11195,0.99004,0.51616,0.11477,-0.98816,-0.10184,417.62

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.98972,0.10493,0.097203,-72.684,-0.085366,-0.11195,0.99004,-8.2105,0.11477,-0.98816,-0.10184,383.63

> view matrix models
> #3,0.98972,0.10493,0.097203,-74.736,-0.085366,-0.11195,0.99004,-5.7417,0.11477,-0.98816,-0.10184,346.72

> view matrix models
> #3,0.98972,0.10493,0.097203,-68.072,-0.085366,-0.11195,0.99004,18.491,0.11477,-0.98816,-0.10184,353.16

> view matrix models
> #3,0.98972,0.10493,0.097203,-64.416,-0.085366,-0.11195,0.99004,14.455,0.11477,-0.98816,-0.10184,346.38

> ui mousemode right "rotate selected models"

> view matrix models
> #3,0.92649,0.020919,0.37573,-93.139,-0.34112,-0.37493,0.86201,137.37,0.15891,-0.92682,-0.34024,374.81

> view matrix models
> #3,0.90761,-0.1023,0.40715,-72.932,-0.40588,-0.46162,0.78878,180.49,0.10725,-0.88116,-0.46049,400.25

> view matrix models
> #3,0.92552,-0.24841,0.28584,-24.494,-0.37746,-0.54398,0.74941,198.5,-0.030665,-0.80149,-0.59723,438.84

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.92552,-0.24841,0.28584,-19.878,-0.37746,-0.54398,0.74941,201.85,-0.030665,-0.80149,-0.59723,439.42

> view matrix models
> #3,0.92552,-0.24841,0.28584,-23.844,-0.37746,-0.54398,0.74941,197.75,-0.030665,-0.80149,-0.59723,433.55

> fitmap #3 inMap #1

Fit map cryosparc_P23_J469_003_volume_map_sharp.mrc in map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc using 20242 points  
correlation = 0.8993, correlation about mean = 0.6277, overlap = 1661  
steps = 188, shift = 6.85, angle = 20.8 degrees  
  
Position of cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99518294 0.04427809 0.08746640 -46.83296081  
-0.04864464 -0.55158245 0.83270073 121.26914196  
0.08511534 -0.83294433 -0.54677156 406.40704997  
Axis -0.99844649 0.00140931 -0.05570117  
Axis point 0.00000000 170.37616190 171.87178256  
Rotation angle (degrees) 123.47585517  
Shift along axis 24.29376271  
  

> select clear

> volume #3 level 0.04242

> volume #1 level 0.5381

> hide #!2 models

> show #!2 models

> hide #!3 models

> color #1 #b2b2b259 models

> set bgColor white

> color #1 #b2b2b285 models

> color #1 #b2b2b2b1 models

> volume #1 level 0.4841

> volume #1 level 0.4706

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> volume #3 level 0.03357

> hide #!2 models

> volume #3 level 0.03003

[Repeated 1 time(s)]

> surface dust #3 size 7.34

> volume #3 level 0.02472

> show #!2 models

> hide #!2 models

> show #!2 models

> volume #3 level 0.02915

> hide #!2 models

> hide #!3 models

> show #!3 models

> show #!2 models

> show #!1 models

> hide #!2 models

> surface dust #1 size 13

> surface dust #3 size 7.34

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.03092

> show #!2 models

> hide #!2 models

> show #!1 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

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.0495

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 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 #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.04419

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 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

> volume #1 level 0.4031

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!2 models

> show #!2 models

> color #2 black

> color #2 #941100ff

> color #3 #b2b2ff9d models

> color #3 #b2b2ffea models

> color #3 #b2b2ffe2 models

> color #3 #b2b2ffdc models

> color #3 #b2b2ffdb models

> volume #3 level 0.03799

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4638

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> show #!3 models

> volume #3 level 0.02915

> hide #!1 models

> volume #3 level 0.02472

> volume #3 level 0.03534

> show #!1 models

> volume #3 level 0.04242

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4368

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #3 level 0.03711

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.03357

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 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

> volume #3 level 0.04507

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!2 models

> color #2 forest green

> select #2:1344

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

> color sel red

> show #!1 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:625

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

> select /A:624

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

> select /A:625

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

> show sel atoms

> color sel red

> select /A:624

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

> color sel red

> show sel atoms

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!1 models

> select /A:623

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

> show sel atoms

> color sel red

> show #!1 models

> show #!3 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:629

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

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:1344

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

> show sel atoms

> show #!1 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> volume #3 level 0.05392

> volume #3 level 0.0495

> select /A:628

19 atoms, 18 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4031

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.04065

> volume #3 level 0.0318

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:604

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

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:231

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

> show sel atoms

> color sel red

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.04861

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4571

> hide #!1 models

> select /A:603

12 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:605

24 atoms, 25 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> select clear

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.5381

> volume #1 level 0.7948

> volume #1 level 0.4436

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.8353

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.03357

> show #!1 models

> hide #!2 models

> show #!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 #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.02826

> volume #3 level 0.03357

> volume #3 level 0.04065

> show #!1 models

> volume #1 level 0.3828

> hide #!1 models

> volume #3 level 0.03622

> volume #3 level 0.03357

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4301

> volume #1 level 0.4503

> volume #1 level 0.4436

> show #!3 models

> volume #3 level 0.05127

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.04596

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #1 level 0.4031

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!3 models

> open 33154 fromDatabase emdb_fits format ccp4

Summary of feedback from opening 33154 fetched from emdb_fits  
---  
notes | Fetching compressed map 33154 from https://files.wwpdb.org/pub/emdb/structures/EMD-33154/map/emd_33154.map.gz  
Fetching map header 33154 from
https://files.wwpdb.org/pub/emdb/structures/EMD-33154/header/emd-33154.xml  
Fetching compressed mmCIF 7xe4 from http://files.rcsb.org/download/7xe4.cif  
Fetching CCD C14 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/4/C14/C14.cif  
Fetching CCD D10 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/0/D10/D10.cif  
Fetching CCD D12 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/2/D12/D12.cif  
Fetching CCD DD9 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/9/DD9/DD9.cif  
Fetching CCD HP6 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/6/HP6/HP6.cif  
Fetching CCD NAG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif  
Fetching CCD XKP from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/XKP/XKP.cif  
  
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.01, step 1, values float32, fit PDB 7xe4  
7xe4 title:  
structure of a membrane-bound glycosyltransferase [more info...]  
  
Chain information for 7xe4 #5  
---  
Chain | Description | UniProt  
F | 1,3-beta-glucan synthase component FKS1 | FKS1_YEAST 1-1876  
  
Non-standard residues in 7xe4 #5  
---  
C14 — tetradecane  
D10 — decane  
D12 — dodecane  
DD9 — nonane  
HP6 — heptane  
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)  
XKP —
(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl
decanoate  
  

> select add #5

12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 3 models selected  

> select add #4

12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 5 models selected  

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292,#5,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684,#5,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684

> ui mousemode right "translate selected models"

> view matrix models
> #4,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182,#5,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659,#5,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659

> ui mousemode right "translate selected models"

> view matrix models
> #4,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03,#5,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596,#5,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596

> fitmap #4 inMap #1

Fit map emdb 33154 in map cryosparc_P1078_J1017_002_volume_map_sharp.mrc using
104898 points  
correlation = 0.8147, correlation about mean = 0.471, overlap = 1137  
steps = 108, shift = 4.72, angle = 10.5 degrees  
  
Position of emdb 33154 (#4) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.77559150 0.44110259 -0.45153775 245.46031073  
-0.19104122 0.51774969 0.83392956 51.53255230  
0.60163202 0.73305099 -0.31729348 58.39718054  
Axis -0.08185163 -0.85452901 -0.51291372  
Axis point 118.21635546 0.00000000 61.69084670  
Rotation angle (degrees) 141.95878126  
Shift along axis -94.08010205  
  

> fitmap #5 inMap #1

Fit molecule 7xe4 (#5) to map cryosparc_P1078_J1017_002_volume_map_sharp.mrc
(#1) using 12529 atoms  
average map value = 0.5176, steps = 108  
shifted from previous position = 4.28  
rotated from previous position = 10.4 degrees  
atoms outside contour = 5925, contour level = 0.40307  
  
Position of 7xe4 (#5) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.77580956 0.44096383 -0.45129860 245.45501288  
-0.19028465 0.51843695 0.83367553 51.42373913  
0.60159063 0.73264864 -0.31829969 58.48259859  
Axis -0.08201767 -0.85477760 -0.51247278  
Axis point 118.18885277 0.00000000 61.73225462  
Rotation angle (degrees) 141.98375373  
Shift along axis -94.05824869  
  

> volume #4 level 0.01035

> surface dust #4 size 9.2

> volume #4 level 0.008252

> volume #4 level 0.009126

> select clear

> hide #!2 models

> hide #!5 models

> show #!1 models

> hide #!1 models

> show #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> volume #4 level 0.007727

> show #!5 models

> hide #!3 models

> color #4 #ffb2ff7f models

> color #4 #ffb2ffa2 models

> color #4 #ffb2ffd0 models

> color #4 #ffb2ffd1 models

> hide #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> color #5 #941100ff

> color #4 #ffb2ffaa models

> color #4 #ffb2ffab models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> volume #4 level 0.00965

> volume #4 level 0.006328

> volume #4 level 0.009126

> show #!1 models

> hide #!1 models

> show #!3 models

> volume #3 level 0.0285

> volume #4 level 0.009126

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!2 models

> show #!1 models

> hide #!1 models

> show #!3 models

> hide #!4 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> show #!4 models

> hide #!5 models

> hide #!3 models

> hide #!4 models

> show #!5 models

> color #5 #0433ffff

> select #5/F:1357

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

> select #5/F:639

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!4 models

> hide #!4 models

> show #!1 models

> hide #!1 models

> select #5/F:619

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

> select #5/F:617

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

> select #5/F:618

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

> show sel atoms

> show #!1 models

> hide #!1 models

> show #!4 models

> volume #4 level 0.008601

> fitmap #5 inMap #4

Fit molecule 7xe4 (#5) to map emdb 33154 (#4) using 12529 atoms  
average map value = 0.0173, steps = 56  
shifted from previous position = 0.0796  
rotated from previous position = 0.0627 degrees  
atoms outside contour = 2448, contour level = 0.0086013  
  
Position of 7xe4 (#5) relative to emdb 33154 (#4) coordinates:  
Matrix rotation and translation  
1.00000000 0.00005862 0.00004014 -0.00661266  
-0.00005862 1.00000000 -0.00007132 0.02208420  
-0.00004015 0.00007131 1.00000000 -0.00293560  
Axis 0.70843877 0.39881019 -0.58229283  
Axis point 0.00000000 -6.44294241 277.04962384  
Rotation angle (degrees) 0.00576774  
Shift along axis 0.00583212  
  

> volume #4 level 0.008601

> show #!3 models

> hide #!4 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!4 models

> hide #!3 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!3 models

> hide #!3 models

> show #!1 models

> hide #!2 models

> show #!4 models

> volume #1 level 0.4236

> volume #4 level 0.009126

> volume #1 level 0.4133

> show #!2 models

> hide #!2 models

> hide #!4 models

> hide #!1 models

> show #!1 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> volume #4 level 0.008077

> show #!2 models

> hide #!2 models

> show #!5 models

> hide #!5 models

> hide #!4 models

> show #!4 models

> show #!1 models

> hide #!4 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4031

> volume #1 level 0.4133

> volume #1 level 0.4031

> surface dust #1 size 13

> ui tool show "Hide Dust"

> surface dust #1 size 1.3

> surface undust #1

> volume #1 level 0.4338

> volume #1 level 0.5363

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!2 models

> select #2:1248

Nothing selected  

> select #2:1209

12 atoms, 11 bonds, 1 residue, 1 model selected  

> hide #!3 models

> show sel atoms

> color sel orange red

> show #!4 models

> hide #!4 models

> show #!1 models

> volume #1 level 0.3826

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.02985

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4338

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

Desktop color scheme is light  

> view matrix models
> #2,-0.66534,0.63156,0.39805,104.96,-0.71668,-0.68965,-0.10371,419.38,0.20902,-0.35428,0.91148,37.72

[Repeated 2 time(s)]

> show #!1 models

> volume #1 level 0.4953

> show #!4 models

> show #!2 models

> hide #!4 models

> hide #!1 models

> show #!1 models

> save /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs includeMaps true

——— End of log from Tue Jan 20 09:48:17 2026 ———

> view name session-start

opened ChimeraX session  

> open /Users/shamiul/Downloads/cryosparc_P1078_J1041_002_volume_map_sharp.mrc

Opened cryosparc_P1078_J1041_002_volume_map_sharp.mrc as #6, grid size
256,256,256, pixel 1.3, shown at level 0.232, step 1, values float32  

> volume #6 level 0.5479

> close #1

> hide #!2 models

> show #!2 models

> hide #!6 models

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> volume #6 level 0.4522

> surface dust #6 size 13

> volume #6 level 0.3949

> 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 #6 #b2b2b2e6 models

> color #6 #b2b2b2d8 models

> show #!4 models

> hide #!4 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> volume #3 level 0.0285

> volume #3 level 0.03387

> volume #3 level 0.03924

> volume #3 level 0.05536

> hide #!2 models

> volume #3 level 0.0379

> select #2: 625-633, 676-686, 1341-1344

440 atoms, 445 bonds, 24 residues, 1 model selected  

> show #!2 models

> select #2: 625-633, 676-686, 1341-1344 col yellow target C

Expected a keyword  

> select #2: 625-633, 676-686, 1341-1344 col yellow target c

Expected a keyword  

> color sel light sea green

> color sel hot pink

> color #3 #b2b2ffc2 models

> select #3

2 models selected  

> select #2: 625-633, 676-686, 1341-1344 col yellow target c

Expected a keyword  

> select #2: 625-633, 676-686, 1341-1344

440 atoms, 445 bonds, 24 residues, 1 model selected  

> color sel red

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> volume #6 level 0.4235

> 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 #!6 models

> volume #3 level 0.02985

> hide #!3 models

> show #!6 models

> volume #6 level 0.3949

> show #!3 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> volume #3 level 0.02716

> surface dust #3 size 7.34

> volume #3 level 0.0285

> volume #3 level 0.03119

> show #!6 models

> volume #6 level 0.3757

> volume #6 level 0.4044

> volume #3 level 0.03656

> volume #6 level 0.4235

> volume #3 level 0.04864

> volume #6 level 0.5192

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> volume #6 level 0.4427

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> volume #3 level 0.04327

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!6 models

> show #!2 models

> select clear

> volume #6 level 0.4427

> volume #3 level 0.02582

> volume #6 level 0.3757

> open /Users/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc

Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32  

> volume #1 level 0.5467

> hide #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.04059

> volume #3 level 0.02447

> volume #3 level 0.02985

> volume #3 level 0.02447

> volume #3 level 0.02716

> show #!6 models

> volume #6 level 0.3949

> hide #!2 models

> show #!1 models

> hide #!1 models

> hide #!6 models

> show #!6 models

> hide #!6 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4471

> surface dust #1 size 13

> volume #1 level 0.3775

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!6 models

> show #!2 models

> hide #!2 models

> hide #!6 models

> show #!6 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!6 models

> show #!6 models

> volume #6 level 0.4413

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.0389

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!4 models

> volume #6 level 0.4041

> hide #!3 models

> show #!3 models

> volume #6 level 0.3949

> show #!2 models

> hide #!2 models

> open /Users/shamiul/projects/fks1/round18_aligntocaspo-coot-8.pdb

Chain information for round18_aligntocaspo-coot-8.pdb #7  
---  
Chain | Description  
A | No description available  
  

> matchmaker #7 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 round19_real_space_refined_001-coot-44.pdb, chain A (#2) with
round18_aligntocaspo-coot-8.pdb, chain A (#7), sequence alignment score =
6930.2  
RMSD between 1423 pruned atom pairs is 0.575 angstroms; (across all 1636
pairs: 4.230)  
  

> molmap #7 16 onGrid 6

Invalid "onGrid" argument: invalid density map specifier  

> hide #!3 models

> ui tool show "Fit in Map"

> fitmap #7 inMap #6

Fit molecule round18_aligntocaspo-coot-8.pdb (#7) to map
cryosparc_P1078_J1041_002_volume_map_sharp.mrc (#6) using 28257 atoms  
average map value = 0.4365, steps = 60  
shifted from previous position = 0.0995  
rotated from previous position = 0.292 degrees  
atoms outside contour = 15905, contour level = 0.39486  
  
Position of round18_aligntocaspo-coot-8.pdb (#7) relative to
cryosparc_P1078_J1041_002_volume_map_sharp.mrc (#6) coordinates:  
Matrix rotation and translation  
-0.99974929 -0.01555337 -0.01610747 359.00321150  
-0.02111031 0.41492603 0.90961021 -79.40764228  
-0.00746409 0.90972220 -0.41515034 70.51887473  
Axis 0.01089752 -0.84110706 -0.54075887  
Axis point 178.85260398 0.00000000 61.33327506  
Rotation angle (degrees) 179.70560747  
Shift along axis 32.56886537  
  

> molmap #7 16 onGrid #6

Opened round18_aligntocaspo-coot-8.pdb map 16 as #8, grid size 256,256,256,
pixel 1.3, shown at level 0.0593, step 1, values float32  

> hide #7 models

> show #7 models

> hide #!6 models

> volume #8 level 0.06604

> save /Users/shamiul/Desktop/protein1041.mrc models #8

> volume #8 level 0.1571

> hide #7 models

> show #!6 models

> volume #8 level 0.1651

> hide #!8 models

> volume #6 level 0.3949

> show #!8 models

> volume #8 level 0.151

> open /Users/shamiul/Downloads/cryosparc_P1078_J1048_003_volume_map_sharp.mrc

Opened cryosparc_P1078_J1048_003_volume_map_sharp.mrc as #9, grid size
256,256,256, pixel 1.3, shown at level 0.236, step 1, values float32  

> hide #!6 models

> show #!6 models

> hide #!8 models

> volume #9 level 0.5183

> hide #!6 models

> surface dust #9 size 13

> volume #9 level 0.3995

> show #!3 models

> hide #!3 models

> volume #9 level 0.4143

> show #!3 models

> hide #!3 models

> volume #9 level 0.3921

> color #9 silver models

> close #6

> volume #9 level 0.3728

> volume #9 level 0.4017

> show #!3 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> fitmap #9 inMap #3

Fit map cryosparc_P1078_J1048_003_volume_map_sharp.mrc in map
cryosparc_P23_J469_003_volume_map_sharp.mrc using 52265 points  
correlation = 0.8411, correlation about mean = 0.7355, overlap = 2719  
steps = 64, shift = 0.137, angle = 0.284 degrees  
  
Position of cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) relative to
cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.99562998 -0.04508186 0.08178364 17.79528418  
0.04351058 -0.55095466 -0.83340013 407.68451908  
0.08263030 0.83331661 -0.54658544 125.90881048  
Axis 0.99859019 -0.00050727 0.05307893  
Axis point 0.00000000 170.27130670 172.32267538  
Rotation angle (degrees) 123.43255903  
Shift along axis 24.24649662  
  

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> volume #3 level 0.02904

> hide #!9 models

> show #!9 models

> hide #!9 models

> hide #!3 models

> show #!3 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> volume #4 level 0.00936

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> fitmap #4 inMap #3

Fit map emdb 33154 in map cryosparc_P23_J469_003_volume_map_sharp.mrc using
116253 points  
correlation = 0.5847, correlation about mean = 0.3523, overlap = 99  
steps = 72, shift = 0.181, angle = 0.177 degrees  
  
Position of emdb 33154 (#4) relative to
cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
-0.71048798 0.47703780 -0.51734105 264.67558202  
-0.43239360 -0.87595053 -0.21388416 341.14525553  
-0.55519599 0.07173283 0.82862042 157.39209429  
Axis 0.29939554 0.03968112 -0.95330358  
Axis point 202.77925698 136.32398446 -0.00000000  
Rotation angle (degrees) 151.51104117  
Shift along axis -57.26273245  
  

> show #!3 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!9 models

> hide #!9 models

> show #!9 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

> show #!1 models

> hide #!1 models

> volume #9 level 0.4111

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 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

> show #!3 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> volume #3 level 0.02644

> show #!9 models

> volume #9 level 0.4111

> hide #!3 models

> show #!3 models

> hide #!9 models

> volume #3 level 0.02644

> show #!2 models

> show #!9 models

> hide #!9 models

> show #!9 models

> hide #!3 models

> fitmap #2 inMap #9

Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) using 26286 atoms  
average map value = 0.4951, steps = 28  
shifted from previous position = 0.0281  
rotated from previous position = 0.0329 degrees  
atoms outside contour = 13242, contour level = 0.41108  
  
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1048_003_volume_map_sharp.mrc (#9) coordinates:  
Matrix rotation and translation  
-0.66233458 0.63252332 0.40153103 103.73969491  
-0.71883862 -0.68755706 -0.10264664 419.32753451  
0.21114910 -0.35662243 0.91007500 38.03008402  
Axis -0.18296144 0.13714910 -0.97350667  
Axis point 135.16573018 190.78373405 0.00000000  
Rotation angle (degrees) 136.04691145  
Shift along axis 1.50749046  
  

> color #9 #c0c0c0ce models

> color #9 #c0c0c0cf models

> show #!3 models

> hide #!9 models

> show #!9 models

> hide #!9 models

> show #!9 models

> volume #3 level 0.02644

> hide #!9 models

> volume #3 level 0.03109

> volume #3 level 0.04132

> show #!9 models

> hide #!9 models

> show #!9 models

> volume #9 level 0.4378

> hide #!9 models

> volume #3 level 0.03202

> volume #3 level 0.03109

> volume #3 level 0.02644

> volume #3 level 0.04039

> volume #3 level 0.02458

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.02551

> volume #3 level 0.02644

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.03481

> hide #!2 models

> hide #!3 models

> show #!3 models

QPainter::begin: Paint device returned engine == 0, type: 2  


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

Log:
UCSF ChimeraX version: 1.11 (2025-12-17)  
© 2016-2025 Regents of the University of California. All rights reserved.  

> open /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs

Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.495, step 1, values float32  
Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0298, step 2, values float32  
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.00808, step 1, values float32  
Log from Tue Jan 20 09:48:17 2026UCSF ChimeraX version: 1.10 (2025-06-26)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/shamiul/Downloads/cryosparc_P1078_J1017_002_volume_map_sharp.mrc

Opened cryosparc_P1078_J1017_002_volume_map_sharp.mrc as #1, grid size
256,256,256, pixel 1.3, shown at level 0.239, step 1, values float32  

> open "/Users/shamiul/projects/fks1/Model
> Building/Coot/round19_real_space_refined_001-coot-44.pdb"

Summary of feedback from opening /Users/shamiul/projects/fks1/Model
Building/Coot/round19_real_space_refined_001-coot-44.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 9 9 ALA A 236 LYS A 242 1 7  
Start residue of secondary structure not found: HELIX 10 10 LYS A 244 MET A
247 1 4  
Start residue of secondary structure not found: HELIX 11 11 ALA A 255 ASP A
257 1 3  
Start residue of secondary structure not found: HELIX 12 12 ILE A 258 ASN A
260 1 3  
End residue of secondary structure not found: HELIX 64 64 ASN A 788 THR A 792
1 5  
End residue of secondary structure not found: HELIX 69 69 PRO A 867 GLU A 888
1 22  
Start residue of secondary structure not found: HELIX 70 70 ALA A 900 ASP A
906 1 7  
Start residue of secondary structure not found: HELIX 71 71 PHE A 910 ILE A
913 1 4  
Start residue of secondary structure not found: HELIX 96 96 PHE A 1239 ILE A
1242 1 4  
Start residue of secondary structure not found: HELIX 97 97 LEU A 1243 PHE A
1245 1 3  
Start residue of secondary structure not found: HELIX 98 98 THR A 1246 GLN A
1256 1 11  
End residue of secondary structure not found: HELIX 108 108 SER A 1385 ASP A
1403 1 19  
  
Chain information for round19_real_space_refined_001-coot-44.pdb #2  
---  
Chain | Description  
A | No description available  
  

> volume #1 level 0.5677

> select add #2

26286 atoms, 26649 bonds, 8 pseudobonds, 1636 residues, 2 models selected  

> ui mousemode right "translate selected models"

> view matrix models #2,1,0,0,-40.366,0,1,0,75.715,0,0,1,45.059

> ui mousemode right "rotate selected models"

> view matrix models
> #2,-0.23585,-0.8656,-0.44171,370.28,0.9416,-0.091141,-0.32417,159.44,0.24034,-0.49237,0.83655,114.88

> view matrix models
> #2,-0.87113,-0.1611,-0.46386,357.53,0.42268,-0.72682,-0.54136,382.19,-0.24993,-0.66766,0.70126,243.46

> view matrix models
> #2,-0.7965,0.49136,0.35236,106.84,-0.5959,-0.73666,-0.31974,510.13,0.10246,-0.46464,0.87955,125.29

> ui mousemode right translate

> ui mousemode right "translate selected models"

> view matrix models
> #2,-0.7965,0.49136,0.35236,147.44,-0.5959,-0.73666,-0.31974,434.86,0.10246,-0.46464,0.87955,75.24

> view matrix models
> #2,-0.7965,0.49136,0.35236,156.43,-0.5959,-0.73666,-0.31974,440.13,0.10246,-0.46464,0.87955,75.704

> ui tool show "Fit in Map"

> fitmap #2 inMap #1

Fit molecule round19_real_space_refined_001-coot-44.pdb (#2) to map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) using 26286 atoms  
average map value = 0.505, steps = 112  
shifted from previous position = 2.31  
rotated from previous position = 14.5 degrees  
atoms outside contour = 16699, contour level = 0.56771  
  
Position of round19_real_space_refined_001-coot-44.pdb (#2) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.66534498 0.63156314 0.39805034 104.96048430  
-0.71667873 -0.68964915 -0.10370951 419.37917810  
0.20901597 -0.35427681 0.91148246 37.72015838  
Axis -0.18100709 0.13655637 -0.97395523  
Axis point 135.48156726 190.61539580 0.00000000  
Rotation angle (degrees) 136.19963585  
Shift along axis 1.53255925  
  

> select clear

> volume #1 level 0.4976

> select clear

> molmap #2 16 onGrid #1

Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32  

> \

Unknown command: \  

> molmap #2 16 onGrid #1

Opened round19_real_space_refined_001-coot-44.pdb map 16 as #3, grid size
256,256,256, pixel 1.3, shown at level 0.0587, step 1, values float32  

> volume #3 level 0.1386

> volume #3 level 0.1278

> volume #3 level 0.1516

> save /Users/shamiul/Desktop/protein1072.mrc models #3

> close #3

> open /Users/shamiul/Downloads/cryosparc_P23_J469_003_volume_map_sharp.mrc

Opened cryosparc_P23_J469_003_volume_map_sharp.mrc as #3, grid size
512,512,512, pixel 0.734, shown at level 0.0147, step 2, values float32  

> select add #3

2 models selected  

> ui mousemode right "rotate selected models"

> volume #3 level 0.04773

> view matrix models
> #3,-0.079636,0.51981,-0.85056,277.07,-0.97778,-0.20673,-0.03479,415.67,-0.19392,0.82889,0.52472,-22.468

> ui mousemode right "translate selected models"

> view matrix models
> #3,-0.079636,0.51981,-0.85056,291.89,-0.97778,-0.20673,-0.03479,408.22,-0.19392,0.82889,0.52472,18.485

> view matrix models
> #3,-0.079636,0.51981,-0.85056,307.4,-0.97778,-0.20673,-0.03479,392.49,-0.19392,0.82889,0.52472,9.5176

> ui mousemode right "rotate selected models"

> view matrix models
> #3,-0.74236,0.66559,-0.076754,248.06,-0.41506,-0.54679,-0.72715,490.4,-0.52595,-0.50796,0.68217,289.63

> view matrix models
> #3,0.99436,0.013795,0.10513,7.5729,-0.1047,-0.029291,0.99407,-12.114,0.016792,-0.99948,-0.027681,423.11

> view matrix models
> #3,0.98972,0.10493,0.097203,-6.9775,-0.085366,-0.11195,0.99004,0.51616,0.11477,-0.98816,-0.10184,417.62

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.98972,0.10493,0.097203,-72.684,-0.085366,-0.11195,0.99004,-8.2105,0.11477,-0.98816,-0.10184,383.63

> view matrix models
> #3,0.98972,0.10493,0.097203,-74.736,-0.085366,-0.11195,0.99004,-5.7417,0.11477,-0.98816,-0.10184,346.72

> view matrix models
> #3,0.98972,0.10493,0.097203,-68.072,-0.085366,-0.11195,0.99004,18.491,0.11477,-0.98816,-0.10184,353.16

> view matrix models
> #3,0.98972,0.10493,0.097203,-64.416,-0.085366,-0.11195,0.99004,14.455,0.11477,-0.98816,-0.10184,346.38

> ui mousemode right "rotate selected models"

> view matrix models
> #3,0.92649,0.020919,0.37573,-93.139,-0.34112,-0.37493,0.86201,137.37,0.15891,-0.92682,-0.34024,374.81

> view matrix models
> #3,0.90761,-0.1023,0.40715,-72.932,-0.40588,-0.46162,0.78878,180.49,0.10725,-0.88116,-0.46049,400.25

> view matrix models
> #3,0.92552,-0.24841,0.28584,-24.494,-0.37746,-0.54398,0.74941,198.5,-0.030665,-0.80149,-0.59723,438.84

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.92552,-0.24841,0.28584,-19.878,-0.37746,-0.54398,0.74941,201.85,-0.030665,-0.80149,-0.59723,439.42

> view matrix models
> #3,0.92552,-0.24841,0.28584,-23.844,-0.37746,-0.54398,0.74941,197.75,-0.030665,-0.80149,-0.59723,433.55

> fitmap #3 inMap #1

Fit map cryosparc_P23_J469_003_volume_map_sharp.mrc in map
cryosparc_P1078_J1017_002_volume_map_sharp.mrc using 20242 points  
correlation = 0.8993, correlation about mean = 0.6277, overlap = 1661  
steps = 188, shift = 6.85, angle = 20.8 degrees  
  
Position of cryosparc_P23_J469_003_volume_map_sharp.mrc (#3) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99518294 0.04427809 0.08746640 -46.83296081  
-0.04864464 -0.55158245 0.83270073 121.26914196  
0.08511534 -0.83294433 -0.54677156 406.40704997  
Axis -0.99844649 0.00140931 -0.05570117  
Axis point 0.00000000 170.37616190 171.87178256  
Rotation angle (degrees) 123.47585517  
Shift along axis 24.29376271  
  

> select clear

> volume #3 level 0.04242

> volume #1 level 0.5381

> hide #!2 models

> show #!2 models

> hide #!3 models

> color #1 #b2b2b259 models

> set bgColor white

> color #1 #b2b2b285 models

> color #1 #b2b2b2b1 models

> volume #1 level 0.4841

> volume #1 level 0.4706

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> volume #3 level 0.03357

> hide #!2 models

> volume #3 level 0.03003

[Repeated 1 time(s)]

> surface dust #3 size 7.34

> volume #3 level 0.02472

> show #!2 models

> hide #!2 models

> show #!2 models

> volume #3 level 0.02915

> hide #!2 models

> hide #!3 models

> show #!3 models

> show #!2 models

> show #!1 models

> hide #!2 models

> surface dust #1 size 13

> surface dust #3 size 7.34

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.03092

> show #!2 models

> hide #!2 models

> show #!1 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

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.0495

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 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 #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.04419

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 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

> volume #1 level 0.4031

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!2 models

> show #!2 models

> color #2 black

> color #2 #941100ff

> color #3 #b2b2ff9d models

> color #3 #b2b2ffea models

> color #3 #b2b2ffe2 models

> color #3 #b2b2ffdc models

> color #3 #b2b2ffdb models

> volume #3 level 0.03799

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4638

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> show #!3 models

> volume #3 level 0.02915

> hide #!1 models

> volume #3 level 0.02472

> volume #3 level 0.03534

> show #!1 models

> volume #3 level 0.04242

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4368

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #3 level 0.03711

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.03357

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 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

> volume #3 level 0.04507

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!2 models

> color #2 forest green

> select #2:1344

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

> color sel red

> show #!1 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:625

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

> select /A:624

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

> select /A:625

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

> show sel atoms

> color sel red

> select /A:624

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

> color sel red

> show sel atoms

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!1 models

> select /A:623

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

> show sel atoms

> color sel red

> show #!1 models

> show #!3 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:629

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

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:1344

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

> show sel atoms

> show #!1 models

> show #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> volume #3 level 0.05392

> volume #3 level 0.0495

> select /A:628

19 atoms, 18 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4031

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.04065

> volume #3 level 0.0318

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> select /A:604

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

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:231

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

> show sel atoms

> color sel red

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> volume #3 level 0.04861

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4571

> hide #!1 models

> select /A:603

12 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> color sel red

> show #!1 models

> hide #!1 models

> select /A:605

24 atoms, 25 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!1 models

> select clear

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.5381

> volume #1 level 0.7948

> volume #1 level 0.4436

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.8353

> volume #1 level 0.4706

> hide #!1 models

> show #!1 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.03357

> show #!1 models

> hide #!2 models

> show #!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 #!1 models

> hide #!3 models

> show #!3 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> show #!1 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.02826

> volume #3 level 0.03357

> volume #3 level 0.04065

> show #!1 models

> volume #1 level 0.3828

> hide #!1 models

> volume #3 level 0.03622

> volume #3 level 0.03357

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4301

> volume #1 level 0.4503

> volume #1 level 0.4436

> show #!3 models

> volume #3 level 0.05127

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> volume #3 level 0.04596

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #1 level 0.4031

> hide #!1 models

> show #!1 models

> hide #!3 models

> hide #!1 models

> show #!3 models

> open 33154 fromDatabase emdb_fits format ccp4

Summary of feedback from opening 33154 fetched from emdb_fits  
---  
notes | Fetching compressed map 33154 from https://files.wwpdb.org/pub/emdb/structures/EMD-33154/map/emd_33154.map.gz  
Fetching map header 33154 from
https://files.wwpdb.org/pub/emdb/structures/EMD-33154/header/emd-33154.xml  
Fetching compressed mmCIF 7xe4 from http://files.rcsb.org/download/7xe4.cif  
Fetching CCD C14 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/4/C14/C14.cif  
Fetching CCD D10 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/0/D10/D10.cif  
Fetching CCD D12 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/2/D12/D12.cif  
Fetching CCD DD9 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/9/DD9/DD9.cif  
Fetching CCD HP6 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/6/HP6/HP6.cif  
Fetching CCD NAG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif  
Fetching CCD XKP from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/XKP/XKP.cif  
  
Opened emdb 33154 as #4, grid size 224,224,224, pixel 0.92, shown at level
0.01, step 1, values float32, fit PDB 7xe4  
7xe4 title:  
structure of a membrane-bound glycosyltransferase [more info...]  
  
Chain information for 7xe4 #5  
---  
Chain | Description | UniProt  
F | 1,3-beta-glucan synthase component FKS1 | FKS1_YEAST 1-1876  
  
Non-standard residues in 7xe4 #5  
---  
C14 — tetradecane  
D10 — decane  
D12 — dodecane  
DD9 — nonane  
HP6 — heptane  
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)  
XKP —
(11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl
decanoate  
  

> select add #5

12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 3 models selected  

> select add #4

12529 atoms, 12835 bonds, 10 pseudobonds, 1530 residues, 5 models selected  

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292,#5,-0.86725,0.45253,-0.2076,173.55,-0.088087,0.27094,0.95856,-21.349,0.49002,0.8496,-0.19511,-7.4292

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684,#5,-0.71393,0.63567,-0.29366,148.63,-0.01025,0.40985,0.91209,-38.223,0.70015,0.65418,-0.28609,-0.53684

> ui mousemode right "translate selected models"

> view matrix models
> #4,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182,#5,-0.71393,0.63567,-0.29366,196.82,-0.01025,0.40985,0.91209,41.09,0.70015,0.65418,-0.28609,59.182

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659,#5,-0.86827,0.12771,-0.47937,282.81,-0.36197,0.49769,0.78821,82.573,0.33925,0.8579,-0.3859,87.659

> ui mousemode right "translate selected models"

> view matrix models
> #4,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03,#5,-0.86827,0.12771,-0.47937,285.04,-0.36197,0.49769,0.78821,76.609,0.33925,0.8579,-0.3859,84.03

> ui mousemode right "rotate selected models"

> view matrix models
> #4,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596,#5,-0.82789,0.45334,-0.33028,232.85,-0.02596,0.55725,0.82994,31.043,0.56029,0.69567,-0.44957,83.596

> fitmap #4 inMap #1

Fit map emdb 33154 in map cryosparc_P1078_J1017_002_volume_map_sharp.mrc using
104898 points  
correlation = 0.8147, correlation about mean = 0.471, overlap = 1137  
steps = 108, shift = 4.72, angle = 10.5 degrees  
  
Position of emdb 33154 (#4) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.77559150 0.44110259 -0.45153775 245.46031073  
-0.19104122 0.51774969 0.83392956 51.53255230  
0.60163202 0.73305099 -0.31729348 58.39718054  
Axis -0.08185163 -0.85452901 -0.51291372  
Axis point 118.21635546 0.00000000 61.69084670  
Rotation angle (degrees) 141.95878126  
Shift along axis -94.08010205  
  

> fitmap #5 inMap #1

Fit molecule 7xe4 (#5) to map cryosparc_P1078_J1017_002_volume_map_sharp.mrc
(#1) using 12529 atoms  
average map value = 0.5176, steps = 108  
shifted from previous position = 4.28  
rotated from previous position = 10.4 degrees  
atoms outside contour = 5925, contour level = 0.40307  
  
Position of 7xe4 (#5) relative to
cryosparc_P1078_J1017_002_volume_map_sharp.mrc (#1) coordinates:  
Matrix rotation and translation  
-0.77580956 0.44096383 -0.45129860 245.45501288  
-0.19028465 0.51843695 0.83367553 51.42373913  
0.60159063 0.73264864 -0.31829969 58.48259859  
Axis -0.08201767 -0.85477760 -0.51247278  
Axis point 118.18885277 0.00000000 61.73225462  
Rotation angle (degrees) 141.98375373  
Shift along axis -94.05824869  
  

> volume #4 level 0.01035

> surface dust #4 size 9.2

> volume #4 level 0.008252

> volume #4 level 0.009126

> select clear

> hide #!2 models

> hide #!5 models

> show #!1 models

> hide #!1 models

> show #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> volume #4 level 0.007727

> show #!5 models

> hide #!3 models

> color #4 #ffb2ff7f models

> color #4 #ffb2ffa2 models

> color #4 #ffb2ffd0 models

> color #4 #ffb2ffd1 models

> hide #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> color #5 #941100ff

> color #4 #ffb2ffaa models

> color #4 #ffb2ffab models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> volume #4 level 0.00965

> volume #4 level 0.006328

> volume #4 level 0.009126

> show #!1 models

> hide #!1 models

> show #!3 models

> volume #3 level 0.0285

> volume #4 level 0.009126

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!2 models

> show #!1 models

> hide #!1 models

> show #!3 models

> hide #!4 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> show #!4 models

> hide #!5 models

> hide #!3 models

> hide #!4 models

> show #!5 models

> color #5 #0433ffff

> select #5/F:1357

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

> select #5/F:639

11 atoms, 11 bonds, 1 residue, 1 model selected  

> show sel atoms

> show #!4 models

> hide #!4 models

> show #!1 models

> hide #!1 models

> select #5/F:619

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

> select #5/F:617

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

> select #5/F:618

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

> show sel atoms

> show #!1 models

> hide #!1 models

> show #!4 models

> volume #4 level 0.008601

> fitmap #5 inMap #4

Fit molecule 7xe4 (#5) to map emdb 33154 (#4) using 12529 atoms  
average map value = 0.0173, steps = 56  
shifted from previous position = 0.0796  
rotated from previous position = 0.0627 degrees  
atoms outside contour = 2448, contour level = 0.0086013  
  
Position of 7xe4 (#5) relative to emdb 33154 (#4) coordinates:  
Matrix rotation and translation  
1.00000000 0.00005862 0.00004014 -0.00661266  
-0.00005862 1.00000000 -0.00007132 0.02208420  
-0.00004015 0.00007131 1.00000000 -0.00293560  
Axis 0.70843877 0.39881019 -0.58229283  
Axis point 0.00000000 -6.44294241 277.04962384  
Rotation angle (degrees) 0.00576774  
Shift along axis 0.00583212  
  

> volume #4 level 0.008601

> show #!3 models

> hide #!4 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!4 models

> hide #!3 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!3 models

> hide #!3 models

> show #!1 models

> hide #!2 models

> show #!4 models

> volume #1 level 0.4236

> volume #4 level 0.009126

> volume #1 level 0.4133

> show #!2 models

> hide #!2 models

> hide #!4 models

> hide #!1 models

> show #!1 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> volume #4 level 0.008077

> show #!2 models

> hide #!2 models

> show #!5 models

> hide #!5 models

> hide #!4 models

> show #!4 models

> show #!1 models

> hide #!4 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> volume #1 level 0.4031

> volume #1 level 0.4133

> volume #1 level 0.4031

> surface dust #1 size 13

> ui tool show "Hide Dust"

> surface dust #1 size 1.3

> surface undust #1

> volume #1 level 0.4338

> volume #1 level 0.5363

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!2 models

> select #2:1248

Nothing selected  

> select #2:1209

12 atoms, 11 bonds, 1 residue, 1 model selected  

> hide #!3 models

> show sel atoms

> color sel orange red

> show #!4 models

> hide #!4 models

> show #!1 models

> volume #1 level 0.3826

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #3 level 0.02985

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.4338

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

Desktop color scheme is light  

> view matrix models
> #2,-0.66534,0.63156,0.39805,104.96,-0.71668,-0.68965,-0.10371,419.38,0.20902,-0.35428,0.91148,37.72

[Repeated 2 time(s)]

> show #!1 models

> volume #1 level 0.4953

> show #!4 models

> show #!2 models

> hide #!4 models

> hide #!1 models

> show #!1 models

> save /Users/shamiul/projects/fks1/apo_drug_sac_model44.cxs includeMaps true

——— End of log from Tue Jan 20 09:48:17 2026 ———

> view name session-start

opened ChimeraX session  




OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M2
OpenGL vendor: Apple

Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac14,2
      Model Number: MLY33LL/A
      Chip: Apple M2
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 8 GB
      System Firmware Version: 13822.61.10
      OS Loader Version: 11881.140.96

Software:

    System Software Overview:

      System Version: macOS 15.7.3 (24G419)
      Kernel Version: Darwin 24.6.0
      Time since boot: 7 hours, 13 minutes

Graphics/Displays:

    Apple M2:

      Chipset Model: Apple M2
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        DELL E2414H:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.12.0
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.1
    attrs: 25.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 3.12.2
    build: 1.3.0
    certifi: 2025.7.14
    cftime: 1.6.5
    charset-normalizer: 3.4.4
    ChimeraX-AddCharge: 1.5.20
    ChimeraX-AddH: 2.2.8
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.1.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Animations: 1.0
    ChimeraX-Aniso: 1.3.2
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.61.4
    ChimeraX-AtomicLibrary: 14.2.1
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.6.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.0
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.11
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    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: 2.5.3
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.7.3
    ChimeraX-Label: 1.2
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.2
    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: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MCPServer: 0.1.0
    ChimeraX-MDcrds: 2.17.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-Minimize: 1.3.2
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.22
    ChimeraX-ModelPanel: 1.6
    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: 1.0.1
    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: 1.15.2
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.11
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.5
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.4
    ChimeraX-ProfileGrids: 1.4.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.5
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.3
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-Scenes: 0.3.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.10
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.3
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    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: 1.19.1
    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: 2.5.2
    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: 1.49.1
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 1.5.2
    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: 1.1.5
    ChimeraX-Zone: 1.0.1
    click: 8.3.1
    colorama: 0.4.6
    comm: 0.2.3
    contourpy: 1.3.3
    coverage: 7.13.0
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.1.4
    debugpy: 1.8.19
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.1
    filelock: 3.19.1
    fonttools: 4.61.1
    frozenlist: 1.8.0
    funcparserlib: 2.0.0a0
    glfw: 2.10.0
    grako: 3.16.5
    h11: 0.16.0
    h5py: 3.15.1
    html2text: 2025.4.15
    httpcore: 1.0.9
    httpx: 0.28.1
    httpx-sse: 0.4.3
    idna: 3.11
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.3.0
    ipykernel: 6.30.1
    ipython: 9.5.0
    ipython_pygments_lexers: 1.1.1
    ipywidgets: 8.1.8
    jedi: 0.19.2
    Jinja2: 3.1.6
    jsonschema: 4.25.1
    jsonschema-specifications: 2025.9.1
    jupyter_client: 8.6.3
    jupyter_core: 5.9.1
    jupyterlab_widgets: 3.0.16
    kiwisolver: 1.4.9
    line_profiler: 5.0.0
    lxml: 6.0.2
    lz4: 4.3.2
    Markdown: 3.8.2
    MarkupSafe: 3.0.3
    matplotlib: 3.10.7
    matplotlib-inline: 0.2.1
    mcp: 1.18.0
    msgpack: 1.1.1
    multidict: 6.7.0
    ndindex: 1.10.1
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.14.1
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 25.0
    ParmEd: 4.2.2
    parso: 0.8.5
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 11.3.0
    pip: 25.2
    pkginfo: 1.12.1.2
    platformdirs: 4.5.1
    pluggy: 1.6.0
    prompt_toolkit: 3.0.52
    propcache: 0.4.1
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pybind11: 3.0.1
    pycollada: 0.8
    pydantic: 2.12.5
    pydantic-settings: 2.12.0
    pydantic_core: 2.41.5
    pydicom: 2.4.4
    Pygments: 2.18.0
    pynmrstar: 3.3.6
    pynrrd: 1.0.0
    PyOpenGL: 3.1.10
    PyOpenGL-accelerate: 3.1.10
    pyopenxr: 1.1.4501
    pyparsing: 3.2.5
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.9.1
    PyQt6-Qt6: 6.9.2
    PyQt6-WebEngine-commercial: 6.9.0
    PyQt6-WebEngine-Qt6: 6.9.2
    PyQt6_sip: 13.10.2
    pytest: 9.0.2
    pytest-cov: 7.0.0
    python-dateutil: 2.9.0.post0
    python-dotenv: 1.2.1
    python-multipart: 0.0.21
    pytz: 2025.2
    pyzmq: 27.1.0
    qtconsole: 5.7.0
    QtPy: 2.4.3
    qtshim: 1.2
    RandomWords: 0.4.0
    referencing: 0.37.0
    requests: 2.32.5
    roman-numerals: 4.0.0
    roman-numerals-py: 4.0.0
    rpds-py: 0.30.0
    scipy: 1.14.0
    setuptools: 80.9.0
    sfftk-rw: 0.8.1
    six: 1.17.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.8
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.2.0
    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
    sse-starlette: 3.0.4
    stack-data: 0.6.3
    starlette: 0.50.0
    superqt: 0.7.6
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.5
    tornado: 6.5.4
    traitlets: 5.14.3
    typing-inspection: 0.4.2
    typing_extensions: 4.15.0
    tzdata: 2025.3
    urllib3: 2.6.2
    uvicorn: 0.38.0
    wcwidth: 0.2.14
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.15
    yarl: 1.22.0

Change History (2)

comment:1 by Eric Pettersen, 6 hours 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 Tom Goddard, 5 hours ago

Resolution: can't reproduce
Status: assignedclosed

I'm not sure CGSDatagramReadStream::mainQueueWakeup() means the computer was waking up.

The crash is in dialog.exec() called on the ChimeraX save dialog. I tried showing the save dialog and sleeping and waking Mac laptop with ChimeraX 1.11 also locking screen and relogging in. No crash.

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