#15740 closed defect (duplicate)

Crash on Mac waking from sleep

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

Description

The following bug report has been submitted:
Platform:        macOS-14.5-arm64-arm-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 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 0x00000001f4860c00 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 315 in event_loop
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1003 in init
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1166 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.pdb_lib._load_libs, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, openmm._openmm, openmm.app.internal.compiled, chimerax.surface._surface, chimerax.core._mac_util, scipy._lib._ccallback_c, scipy.special._ufuncs_cxx, scipy.special._cdflib, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.special._ellip_harm_2, scipy.interpolate._fitpack, scipy.interpolate.dfitpack, scipy.optimize._minpack2, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.spatial.transform._rotation, scipy.optimize._direct, scipy.interpolate._bspl, scipy.interpolate._ppoly, scipy.interpolate.interpnd, scipy.interpolate._rbfinterp_pythran, scipy.interpolate._rgi_cython, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.pdb._pdbio, psutil._psutil_osx, psutil._psutil_posix, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw (total: 124)


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  "procRole" : "Background",
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  "captureTime" : "2024-08-07 10:53:50.0044 -0700",
  "codeSigningMonitor" : 1,
  "incident" : "D651FC01-2762-4B65-BB3D-0A02B10FF6A7",
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  "bug_type" : "309",
  "procLaunch" : "2024-08-05 11:38:12.2526 -0700",
  "procStartAbsTime" : 17041444692540,
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  "parentProc" : "launchd",
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  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "01DCA152-1CDB-B331-3941-F49EA5A3C7E2",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "instructionByteStream" : {"beforePC":"fyMD1f17v6n9AwCRW+D\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A==","atPC":"AwEAVH8jA9X9e7+p\/QMAkVDg\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g=="},
  "wakeTime" : 6488,
  "sleepWakeUUID" : "674010D8-BA38-483E-B1F2-1AD2544B2453",
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  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":94338},
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===== Log before crash start =====
> isolde shorthand
    
    
    Initialising ISOLDE-specific command aliases:
    Alias	Equivalent full command
    -------------------------------------------------
    st	isolde step {arguments}
    aw	isolde add water {arguments}
    awsf	isolde add water {arguments} sim false
    al	isolde add ligand {arguments}
    aa	isolde add aa $1 sel {arguments}
    ht	isolde mod his sel {arguments}
    so	setattr sel atoms occupancy {arguments}
    ab	isolde adjust bfactors {arguments}
    ss	isolde sim start sel
    rt	isolde release torsions sel {arguments}
    rd	isolde release distances sel {arguments}
    ra	rd; rt
    pf	isolde pepflip sel
    cf	isolde cisflip sel
    cbb	color bfactor {arguments}
    cbo	color byattr occupancy {arguments}
    cbc	color {arguments} bychain; color {arguments} byhet
    cs	clipper set contourSensitivity {arguments}
    

  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/udalwadi/Library/CloudStorage/Box-
> Box/Dp71_Project/maps_models/240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif
> /Users/udalwadi/Library/CloudStorage/Box-
> Box/Dp71_Project/maps_models/Dp71-PP1-Gactin-DNAseI-J147-isolde_032124.pdb
> /Users/udalwadi/Library/CloudStorage/Box-
> Box/Dp71_Project/maps_models/Dp71-PP1-Gactin-DNAseI-P327_J147.mrc

Summary of feedback from opening /Users/udalwadi/Library/CloudStorage/Box-
Box/Dp71_Project/maps_models/240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif  
---  
warnings | Unknown polymer entity '2' on line 3012  
Atom H is not in the residue template for LYS /C:6  
Atom H is not in the residue template for MET /D:1  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Chain information for 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif #1  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Chain information for Dp71-PP1-Gactin-DNAseI-J147-isolde_032124.pdb #2  
---  
Chain | Description  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  
Opened Dp71-PP1-Gactin-DNAseI-P327_J147.mrc as #3, grid size 256,256,256,
pixel 1.12, shown at level 0.0394, step 1, values float32  

> open "/Users/udalwadi/Downloads/cryosparc_P512_J18_009_volume_map (1).mrc"

Opened cryosparc_P512_J18_009_volume_map (1).mrc as #4, grid size 320,320,320,
pixel 0.929, shown at level 0.00378, step 2, values float32  

> set bgColor white

> style stick

Changed 34243 atom styles  

> show cartoons

> volume #4 step 1

> volume #4 level 0.008253

> hide #2 models

> volume #4 color #ffffb257

> color #1 byhetero

> volume #4 level 0.01397

> hide #1 models

> volume #3 level 0.3662

> select add #3

2 models selected  

> ui mousemode right "rotate selected models"

> view matrix models
> #3,-0.94813,0.030771,0.31639,238.18,-0.24996,-0.68708,-0.68223,366.68,0.19639,-0.72593,0.65914,119.66

> view matrix models
> #3,0.064349,-0.99642,0.054836,269.42,0.5919,-0.0061304,-0.80599,164.68,0.80344,0.084322,0.58939,-73.404

> view matrix models
> #3,0.82147,-0.47161,0.32056,48.322,0.55783,0.5479,-0.62341,67,0.11837,0.69093,0.71316,-74.855

> view matrix models
> #3,0.81682,0.18647,-0.54593,75.63,-0.45541,0.78934,-0.41177,152.83,0.35414,0.58496,0.72966,-96.867

> hide #!3 models

> show #!3 models

> hide #!4 models

> view matrix models
> #3,0.89206,-0.4107,-0.18854,99.256,0.25431,0.8011,-0.54181,64.867,0.37357,0.43538,0.81908,-91.021

> show #!4 models

> view matrix models
> #3,0.93522,-0.041663,0.35162,-32.882,0.23104,0.82431,-0.51685,61.605,-0.26831,0.5646,0.78053,-9.6461

> view matrix models
> #3,0.93522,-0.041663,0.35162,-35.435,0.23104,0.82431,-0.51685,64.488,-0.26831,0.5646,0.78053,-12.919

> view matrix models
> #3,0.93522,-0.041663,0.35162,-38.082,0.23104,0.82431,-0.51685,74.106,-0.26831,0.5646,0.78053,-10.632

> fitmap #3 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc in map
cryosparc_P512_J18_009_volume_map (1).mrc using 25008 points  
correlation = 0.6302, correlation about mean = 0.02715, overlap = 241.5  
steps = 132, shift = 13.4, angle = 14.2 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.98192586 0.09223263 0.16527177 -28.42276321  
0.00426871 0.86221043 -0.50653229 96.96371768  
-0.18921784 0.49808265 0.84623300 -11.55752584  
Axis 0.93981570 0.33162447 -0.08229011  
Axis point 0.00000000 73.75783161 167.17611647  
Rotation angle (degrees) 32.30827604  
Shift along axis 6.39445271  
  

> volume flip #3

Opened Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip as #5, grid size
256,256,256, pixel 1.12, shown at step 1, values float32  

> select subtract #3

Nothing selected  

> select add #5

2 models selected  

> view matrix models
> #5,0.73016,-0.6397,0.24013,100.04,0.51122,0.74462,0.42918,-99.136,-0.45335,-0.19061,0.87072,120.1

> view matrix models
> #5,-0.5652,-0.78934,0.23978,311.16,-0.69975,0.61266,0.36742,106.19,-0.43692,0.039878,-0.89861,346.68

> view matrix models
> #5,-0.98834,-0.063955,0.13821,286.6,0.024914,0.82742,0.56103,-58.844,-0.15024,0.55793,-0.81618,219.83

> view matrix models
> #5,-0.98834,-0.063955,0.13821,285.49,0.024914,0.82742,0.56103,-47.881,-0.15024,0.55793,-0.81618,207.68

> select up

34243 atoms, 34609 bonds, 2169 residues, 8 models selected  

> fitmap #5 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip in map
cryosparc_P512_J18_009_volume_map (1).mrc using 25008 points  
correlation = 0.6087, correlation about mean = -0.02619, overlap = 229.7  
steps = 144, shift = 8.16, angle = 10.1 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip (#5) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
-0.98969135 -0.01526712 0.14240070 270.32468109  
0.04468843 0.91173711 0.40833612 -41.78917257  
-0.13606612 0.41049039 -0.90165606 240.11893632  
Axis 0.00756264 0.97756966 0.21047651  
Axis point 144.02449318 0.00000000 114.66468077  
Rotation angle (degrees) 171.81162441  
Shift along axis 11.73193778  
  

> volume #3 level 0.2389

> volume #5 level 0.248

> volume #4 level 0.01806

> select subtract #5

34243 atoms, 34609 bonds, 2169 residues, 6 models selected  

> select subtract #4

34243 atoms, 34609 bonds, 2169 residues, 4 models selected  

> select subtract #3

34243 atoms, 34609 bonds, 2169 residues, 2 models selected  

> select subtract #1

15586 atoms, 15757 bonds, 991 residues, 1 model selected  

> show #1 models

> show #!3 models

> show #2 models

> select subtract #2

Nothing selected  

> hide #!3 models

> hide #!5 models

> mmaker #2/C to #1/C

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain C (#1) with
Dp71-PP1-Gactin-DNAseI-J147-isolde_032124.pdb, chain C (#2), sequence
alignment score = 1509.1  
RMSD between 293 pruned atom pairs is 0.437 angstroms; (across all 295 pairs:
0.472)  
  

> select clear

> color bychain

> hide atoms

> show atoms

> color byhetero

> hide H

> select add #2

15586 atoms, 15757 bonds, 991 residues, 1 model selected  

> color sel orange red

> select clear

> color byhetero

> select up

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

> select up

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

> view sel

> select clear

> ui tool show "Side View"

> hide #1 models

> show #!3 models

> view

> hide #2 models

> show #!4 models

> select add #3

2 models selected  

> view matrix models
> #3,0.99332,-0.10567,-0.046284,26.788,-0.11517,-0.93136,-0.3454,343.76,-0.0066091,0.34842,-0.93731,228.27

> view matrix models
> #3,-0.81413,0.36767,0.44946,156.72,-0.56072,-0.29651,-0.7731,378.84,-0.15098,-0.88142,0.44756,231.17

> volume #3 level 0.1752

> view matrix models
> #3,-0.89686,0.08219,0.4346,211.26,-0.36665,-0.68774,-0.62657,385.51,0.2474,-0.72129,0.64694,122.64

> volume #3 level 0.73

> view matrix models
> #3,0.93779,0.3234,-0.12636,-8.3023,0.2337,-0.85708,-0.45912,299.35,-0.25679,0.40103,-0.87934,251.49

> select subtract #3

Nothing selected  

> hide #!3 models

> show #!5 models

> select add #5

2 models selected  

> volume #5 level 0.4481

> view matrix models
> #5,0.51134,-0.5194,0.68466,43.405,-0.58537,-0.79379,-0.16501,373.3,0.62918,-0.3164,-0.70994,202.82

> view matrix models
> #5,-0.93288,-0.13532,0.3338,250.55,-0.30562,-0.19305,-0.93238,362.46,0.19061,-0.97181,0.13873,232.25

> view matrix models
> #5,0.25333,-0.66957,-0.69822,306.81,-0.089851,0.70235,-0.70613,172.26,0.9632,0.24162,0.11777,-46.401

> view matrix models
> #5,0.92784,0.31699,0.19653,-61.644,-0.33317,0.94128,0.054732,61.165,-0.16764,-0.11626,0.97897,39.631

> view matrix models
> #5,0.92708,0.31874,0.19728,-64.337,-0.33493,0.94069,0.054046,59.059,-0.16836,-0.11618,0.97886,51.697

> view matrix models
> #5,0.96647,0.20454,0.15521,-47.798,-0.24357,0.92161,0.30218,11.725,-0.081239,-0.32985,0.94053,74.711

> fitmap #5 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip in map
cryosparc_P512_J18_009_volume_map (1).mrc using 18939 points  
correlation = 0.6918, correlation about mean = 0.1145, overlap = 238.1  
steps = 260, shift = 8.05, angle = 11.4 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip (#5) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.95367170 0.29783796 0.04246017 -40.29656884  
-0.30068176 0.93889022 0.16755793 35.70545579  
0.01003968 -0.17256225 0.98494746 41.02815914  
Axis -0.49351969 0.04704264 -0.86846146  
Axis point 85.99627722 171.97862521 0.00000000  
Rotation angle (degrees) 20.15653924  
Shift along axis -14.06454590  
  

> show #!3 models

> select subtract #5

Nothing selected  

> hide #!5 models

> select add #3

2 models selected  

> view matrix models
> #3,0.51374,0.75559,-0.40639,31.466,0.31119,-0.60553,-0.73246,291.2,-0.79952,0.24983,-0.54621,304.27

> hide #!4 models

> volume #3 level 0.3298

> hide #!3 models

> select subtract #3

Nothing selected  

> show #!5 models

> volume #5 level 0.1934

> volume #5 level 0.2571

> volume #5 level 0.3662

> show #!4 models

> select add #5

2 models selected  

> view matrix models
> #5,0.74899,0.58201,-0.31665,2.9486,-0.50751,0.81119,0.29053,65.794,0.42596,-0.056902,0.90295,-24.108

> view matrix models
> #5,0.74899,0.58201,-0.31665,1.5401,-0.50751,0.81119,0.29053,68.894,0.42596,-0.056902,0.90295,-36.883

> view matrix models
> #5,0.99341,-0.069767,-0.090947,23.68,0.08629,0.97745,0.19271,-27.103,0.075452,-0.19929,0.97703,23.568

> fitmap #5 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip in map
cryosparc_P512_J18_009_volume_map (1).mrc using 25008 points  
correlation = 0.6481, correlation about mean = 0.05095, overlap = 246.7  
steps = 124, shift = 8.62, angle = 13.5 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip (#5) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.98807493 0.15305448 -0.01680063 -14.48771814  
-0.14639119 0.96762648 0.20559332 0.83983312  
0.04772371 -0.20068215 0.97849329 34.17844025  
Axis -0.79847669 -0.12681341 -0.58851791  
Axis point 0.00000000 142.39837389 23.67500357  
Rotation angle (degrees) 14.73842576  
Shift along axis -8.65302099  
  

> view matrix models
> #5,0.98354,0.18067,0.0022635,-20.508,-0.17766,0.96471,0.19433,7.5003,0.032926,-0.19153,0.98093,34.707

> view matrix models
> #5,0.98354,0.18067,0.0022635,-18.587,-0.17766,0.96471,0.19433,13.435,0.032926,-0.19153,0.98093,29.93

> fitmap #5 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip in map
cryosparc_P512_J18_009_volume_map (1).mrc using 25008 points  
correlation = 0.6733, correlation about mean = 0.07698, overlap = 267  
steps = 104, shift = 9.39, angle = 10.5 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc z flip (#5) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.95096915 0.26880986 0.15296714 -51.25028321  
-0.29862852 0.92674986 0.22793794 29.04205617  
-0.08049031 -0.26244230 0.96158481 66.85137173  
Axis -0.62431525 0.29722046 -0.72241987  
Axis point 51.44676672 217.84579107 -0.00000000  
Rotation angle (degrees) 23.12475366  
Shift along axis -7.66653271  
  

> volume #4 level 0.01166

> volume #4 level 0.02189

> view matrix models
> #5,0.91758,-0.39268,-0.062011,78.096,0.39123,0.86427,0.31618,-76.473,-0.070564,-0.31439,0.94667,74.877

> view matrix models
> #5,0.84085,-0.53735,-0.064978,110.07,0.53582,0.8094,0.24036,-78.804,-0.076564,-0.23693,0.96851,61.677

> select subtract #5

Nothing selected  

> hide #!5 models

> show #!3 models

> select add #3

2 models selected  

> view matrix models
> #3,-0.60572,0.7569,-0.24537,173.61,-0.45757,-0.58364,-0.67081,392.58,-0.65095,-0.29405,0.69986,187.82

> view matrix models
> #3,0.8255,-0.37977,-0.41752,146.37,0.34982,0.92481,-0.14954,-8.9379,0.44291,-0.022614,0.89628,-37.809

> view matrix models
> #3,-0.5868,-0.64803,-0.4855,400.71,0.49824,0.18368,-0.84736,168.85,0.63829,-0.73913,0.21509,127.35

> view matrix models
> #3,0.97972,-0.19818,0.029431,36.975,0.19438,0.90463,-0.37929,48.223,0.048541,0.37732,0.92481,-39.868

> view matrix models
> #3,0.97972,-0.19818,0.029431,35.491,0.19438,0.90463,-0.37929,49.762,0.048541,0.37732,0.92481,-37.895

> view matrix models
> #3,0.97972,-0.19818,0.029431,26.452,0.19438,0.90463,-0.37929,42.992,0.048541,0.37732,0.92481,-37.901

> fitmap #3 inMap #4

Fit map Dp71-PP1-Gactin-DNAseI-P327_J147.mrc in map
cryosparc_P512_J18_009_volume_map (1).mrc using 28496 points  
correlation = 0.901, correlation about mean = 0.4869, overlap = 577.8  
steps = 200, shift = 6.37, angle = 30.3 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.94130932 0.31414577 0.12348762 -52.93819478  
-0.24237150 0.88366925 -0.40048060 117.54448819  
-0.23493150 0.34704624 0.90794609 8.87256065  
Axis 0.74866113 0.35896298 -0.55736172  
Axis point 0.00000000 52.62753159 280.35817464  
Rotation angle (degrees) 29.94989403  
Shift along axis -2.38387462  
  

> select clear

> show #2 models

> show #1 models

> volume #3 color #b2b2b24a

> select #1/C:74@NH1

1 atom, 1 residue, 1 model selected  

> select up

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

> view sel

> select #3

4 models selected  

> select clear

> hide #!4 models

> volume #3 level 0.2662

> volume #3 level 0.2207

> hide #2 models

> hide #1 models

> show #1 models

> show #!4 models

> hide #1 models

> show #2 models

> volume #3 level 0.1934

> fitmap #2 inMap #3

Fit molecule Dp71-PP1-Gactin-DNAseI-J147-isolde_032124.pdb (#2) to map
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) using 15586 atoms  
average map value = 0.322, steps = 60  
shifted from previous position = 2.31  
rotated from previous position = 5.55 degrees  
atoms outside contour = 6145, contour level = 0.19344  
  
Position of Dp71-PP1-Gactin-DNAseI-J147-isolde_032124.pdb (#2) relative to
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) coordinates:  
Matrix rotation and translation  
0.99999932 0.00043781 -0.00108226 0.08860274  
-0.00043845 0.99999973 -0.00059039 0.16519389  
0.00108201 0.00059086 0.99999924 -0.22842414  
Axis 0.45142299 -0.82709254 -0.33486596  
Axis point 217.40865071 0.00000000 90.13236437  
Rotation angle (degrees) 0.07496356  
Shift along axis -0.02014185  
  

> show #1 models

> fitmap #1 inMap #4

Fit molecule 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif (#1) to map
cryosparc_P512_J18_009_volume_map (1).mrc (#4) using 18657 atoms  
average map value = 0.02389, steps = 44  
shifted from previous position = 0.0244  
rotated from previous position = 0.0418 degrees  
atoms outside contour = 9070, contour level = 0.021895  
  
Position of 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif (#1) relative to
cryosparc_P512_J18_009_volume_map (1).mrc (#4) coordinates:  
Matrix rotation and translation  
0.99999973 0.00039227 -0.00061469 0.02424739  
-0.00039228 0.99999992 -0.00002516 0.06059358  
0.00061468 0.00002540 0.99999981 -0.07170435  
Axis 0.03464207 -0.84246352 -0.53763849  
Axis point 126.86198088 0.00000000 40.04883177  
Rotation angle (degrees) 0.04180439  
Shift along axis -0.01165688  
  

> hide #2 models

> hide #!3 models

> view

> hide #!4 models

> select up

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

> view sel

> show #!4 models

> select add #1

18657 atoms, 18852 bonds, 1178 residues, 1 model selected  

> select clear

> volume #4 level 0.02317

> open 7nzm

7nzm title:  
Cryo-EM structure of pre-dephosphorylation complex of phosphorylated eIF2alpha
with trapped holophosphatase (PP1A_D64A/PPP1R15A/G-actin/DNase I) [more
info...]  
  
Chain information for 7nzm #6  
---  
Chain | Description | UniProt  
A | Actin, alpha skeletal muscle, intermediate form | ACTS_RABIT 1-375  
B | Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | PP1A_RABIT 7-300  
C | Protein phosphatase 1 regulatory subunit 15A,Maltose/maltodextrin-binding periplasmic protein | PR15A_HUMAN 553-624, MALE_ECOLI 626-996  
D | Deoxyribonuclease-1 | DNAS1_BOVIN 1-260  
E | Eukaryotic translation initiation factor 2 subunit 1 | IF2A_HUMAN 1-186  
  
Non-standard residues in 7nzm #6  
---  
ATP — adenosine-5'-triphosphate  
MN — manganese (II) ion  
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)  
  

> mmaker #6/C to #1/C

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain C (#1) with
7nzm, chain C (#6), sequence alignment score = 14.7  
RMSD between 11 pruned atom pairs is 1.225 angstroms; (across all 49 pairs:
32.999)  
  

> select add #6

9109 atoms, 9309 bonds, 4 pseudobonds, 1161 residues, 2 models selected  

> style sel stick

Changed 9109 atom styles  

> show sel atoms

> show sel cartoons

> hide sel atoms

> select clear

> open 6o9z

6o9z title:  
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B
bound to eukaryotic translation initiation factor 2 from Homo sapiens [more
info...]  
  
Chain information for 6o9z #7  
---  
Chain | Description | UniProt  
A B | Translation initiation factor eIF-2B subunit epsilon | EI2BE_HUMAN 1-721  
C D | Translation initiation factor eIF-2B subunit beta | EI2BB_HUMAN 2-351  
E F | Translation initiation factor eIF-2B subunit delta | EI2BD_HUMAN 1-523  
G H | Translation initiation factor eIF-2B subunit alpha | EI2BA_HUMAN 1-305  
I J | Translation initiation factor eIF-2B subunit gamma | EI2BG_HUMAN 1-452  
L M | Eukaryotic translation initiation factor 2 subunit 1 | IF2A_HUMAN 1-314  
  

> select add #7

25788 atoms, 26213 bonds, 10 pseudobonds, 3605 residues, 2 models selected  

> show sel atoms

> style sel stick

Changed 25788 atom styles  

> view

> hide #!6 models

> hide #!4 models

> hide #1 models

> show sel cartoons

> select clear

> hide #!7 models

> show #1 models

> mmaker #7/M to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain A (#1) with
6o9z, chain M (#7), sequence alignment score = 915.9  
RMSD between 139 pruned atom pairs is 0.992 angstroms; (across all 176 pairs:
2.482)  
  

> show #!7 models

> select #7/M

930 atoms, 929 bonds, 176 residues, 1 model selected  

> select ~sel & ##selected

24858 atoms, 25284 bonds, 10 pseudobonds, 3429 residues, 2 models selected  

> hide sel cartoons

> hide sel atoms

> select add #7

25788 atoms, 26213 bonds, 10 pseudobonds, 3605 residues, 2 models selected  

> select subtract #7

Nothing selected  

> hide #!7 models

> select up

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

> select up

14 atoms, 13 bonds, 1 residue, 1 model selected  

> view sel

> show #!7 models

> select add #1

18657 atoms, 18852 bonds, 1178 residues, 1 model selected  

> color sel byhetero

> select clear

> color #1#!7 byhetero

> open 6o85

6o85 title:  
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B
bound to eukaryotic translation initiation factor 2 from Homo sapiens [more
info...]  
  
Chain information for 6o85 #8  
---  
Chain | Description | UniProt  
A B | Translation initiation factor eIF-2B subunit epsilon | EI2BE_HUMAN 1-721  
C D | Translation initiation factor eIF-2B subunit beta | EI2BB_HUMAN 2-351  
E F | Translation initiation factor eIF-2B subunit delta | EI2BD_HUMAN 1-523  
G H | Translation initiation factor eIF-2B subunit alpha | EI2BA_HUMAN 1-305  
I J | Translation initiation factor eIF-2B subunit gamma | EI2BG_HUMAN 1-452  
L | Eukaryotic translation initiation factor 2 subunit 1 | IF2A_HUMAN 1-314  
S | Eukaryotic translation initiation factor 2 subunit 3 | IF2G_HUMAN 1-472  
d | Eukaryotic translation initiation factor 2 subunit beta |   
  
Non-standard residues in 6o85 #8  
---  
C7B —
2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide
(ISRIB)  
  
30 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> mmaker #8/M to #1/A

No molecules/chains to match specified  

> show #!4 models

> hide #!4 models

> hide #1 models

> hide #!7 models

> view

> mmaker #8/L to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain A (#1) with
6o85, chain L (#8), sequence alignment score = 894.9  
RMSD between 165 pruned atom pairs is 0.756 angstroms; (across all 184 pairs:
2.224)  
  

> show #1 models

> select add #8

28546 atoms, 29000 bonds, 15 pseudobonds, 4115 residues, 2 models selected  

> style sel stick

Changed 28546 atom styles  

> show sel cartoons

> color sel byhetero

> select #8/L

1651 atoms, 1670 bonds, 275 residues, 1 model selected  

> select ~sel & ##selected

26895 atoms, 27330 bonds, 15 pseudobonds, 3840 residues, 2 models selected  

> hide sel cartoons

> hide sel atoms

> select clear

> show #!7 models

> select clear

> select #1/A:51

14 atoms, 13 bonds, 1 residue, 1 model selected  

> view sel

> select clear

> show #!4 models

> hide #!4 models

> show #!6 models

> mmaker #6/A to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain A (#1) with
7nzm, chain A (#6), sequence alignment score = 24.4  
RMSD between 4 pruned atom pairs is 1.142 angstroms; (across all 143 pairs:
28.696)  
  

> hide #!7 models

> hide #!8 models

> hide #1 models

> view

> mmaker #6/E to #1/A

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 240711_J18_Dp71-PP1-eIF2a-Gactin-DNAseI_v2.cif, chain A (#1) with
7nzm, chain E (#6), sequence alignment score = 879.3  
RMSD between 150 pruned atom pairs is 0.911 angstroms; (across all 178 pairs:
1.588)  
  

> show #!7 models

> show #1 models

> hide #!7 models

> select #6/E:50

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

> select up

76 atoms, 75 bonds, 9 residues, 1 model selected  

> select up

1392 atoms, 1416 bonds, 178 residues, 1 model selected  

> show sel atoms

> color sel byhetero

> view sel

> select clear

> select #6/B:127

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

> view sel

> select clear

> show #!4 models

> select #1/C:64

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

> view sel

> select clear

> color #1#!6 byhetero

> select clear

> select #1/A:40-60

369 atoms, 368 bonds, 21 residues, 1 model selected  

> view sel

> select clear

> hide #1#!6 atoms

> select #1/A:40-60

369 atoms, 368 bonds, 21 residues, 1 model selected  

> show sel atoms

> select sel : show sel & #1#!6 atoms

> hide H

> select clear

> hide #!4 models

> show #!4 models

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> hide #!4 models

> show #2 models

> hide #2 models

> show #2 models

> hide #2 models

> show #!7 models

> show #!8 models

> hide #!6 models

> hide #!8 models

> hide #!7 models

> show #!4 models

> hide #1 models

> view

> ui mousemode right "map eraser"

> volume erase #4 center 142.65,109.71,156.94 radius 21.08

Opened cryosparc_P512_J18_009_volume_map (1).mrc copy as #10, grid size
320,320,320, pixel 0.929, shown at step 1, values float32  

> volume erase #10 center 159.63,116.92,167.33 radius 20.949

> volume erase #10 center 152.96,175.69,181.6 radius 20.949

> volume erase #10 center 144.01,166.78,190.48 radius 20.949

> volume erase #10 center 154.22,172.13,173.47 radius 20.949

> volume erase #10 center 156.51,150.45,187.54 radius 20.949

> volume erase #10 center 143.47,167.94,125.63 radius 31.498 outside true

> volume resample #10 onGrid #4

Opened cryosparc_P512_J18_009_volume_map (1).mrc copy resampled as #11, grid
size 320,320,320, pixel 0.929, shown at step 1, values float32  

> save /Users/udalwadi/Downloads/J18_PP1_mask.mrc models #11

> volume #11 level 0.01407

> hide #!11 models

> hide #9 models

> close #9

> ui mousemode right "translate selected models"

> open /Users/udalwadi/Downloads/cryosparc_P512_J22_mask.mrc
> /Users/udalwadi/Downloads/cryosparc_P512_J18_009_volume_map.mrc

Opened cryosparc_P512_J22_mask.mrc as #9.1, grid size 320,320,320, pixel
0.929, shown at level 5e-05, step 2, values float32  
Opened cryosparc_P512_J18_009_volume_map.mrc as #9.2, grid size 320,320,320,
pixel 0.929, shown at level 0.00378, step 2, values float32  

> close #9-11#9.1-2

> open /Users/udalwadi/Downloads/cryosparc_P512_J23_005_volume_map.mrc

Opened cryosparc_P512_J23_005_volume_map.mrc as #9, grid size 320,320,320,
pixel 0.929, shown at level 0.00435, step 2, values float32  

> volume #9 step 1

> volume #9 level 0.01691

> show #!4 models

> open /Users/udalwadi/Downloads/cryosparc_P512_J24_006_volume_map.mrc

Opened cryosparc_P512_J24_006_volume_map.mrc as #10, grid size 320,320,320,
pixel 0.929, shown at level 0.0042, step 2, values float32  

> volume #10 level 0.01669

> volume #10 step 1

> close #9

> volume #10 level 0.01603

> hide #!10 models

> show #!3 models

> open /Users/udalwadi/Library/CloudStorage/Box-
> Box/Dp71_Project/maps_models/Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc

Opened Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc as #9, grid size
256,256,256, pixel 1.12, shown at level 0.00451, step 1, values float32  

> volume #9 level 0.03008

> volume #!3-4,9 style surface

> transparency #3.1#4.1#9.1 0

> hide #!4 models

> hide #!3 models

> volume #9 level 0.1068

> volume #9 level 0.1725

> show #!3 models

> volume #3 level 0.3298

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

> select add #9

2 models selected  

> view matrix models #9,1,0,0,-3.417,0,1,0,6.2971,0,0,1,10.328

> view matrix models #9,1,0,0,-1.525,0,1,0,8.1401,0,0,1,8.9792

> view matrix models
> #9,0.70377,0.64285,0.30241,-80.462,-0.51969,0.75609,-0.39781,163.93,-0.48438,0.12281,0.86619,79.068

> view matrix models
> #9,0.70377,0.64285,0.30241,-84.192,-0.51969,0.75609,-0.39781,163.4,-0.48438,0.12281,0.86619,79.248

> view matrix models
> #9,0.70377,0.64285,0.30241,-88.134,-0.51969,0.75609,-0.39781,172.63,-0.48438,0.12281,0.86619,88.751

> view matrix models
> #9,0.54956,0.74646,0.3752,-87.766,-0.43131,0.63812,-0.63779,203.2,-0.71551,0.18867,0.67264,136.13

> fitmap #9 inMap #3

Fit map Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc in map Dp71-PP1-Gactin-
DNAseI-P327_J147.mrc using 14216 points  
correlation = 0.3433, correlation about mean = 0.05761, overlap = 435.3  
steps = 100, shift = 3.19, angle = 5.52 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc (#9) relative to
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) coordinates:  
Matrix rotation and translation  
0.83884477 0.46633287 0.28084358 -77.41735076  
-0.41479053 0.88165189 -0.22503058 102.89753969  
-0.35254543 0.07227447 0.93299953 59.92213387  
Axis 0.26423719 0.56294010 -0.78312014  
Axis point 195.76609280 228.30693159 0.00000000  
Rotation angle (degrees) 34.23387685  
Shift along axis -9.45762160  
  

> view matrix models
> #9,0.61577,0.72486,0.30888,-86.261,-0.42866,0.63712,-0.64057,214.9,-0.66111,0.26204,0.70304,82.957

> view matrix models
> #9,0.61577,0.72486,0.30888,-80.846,-0.42866,0.63712,-0.64057,201.63,-0.66111,0.26204,0.70304,108.51

> view matrix models
> #9,0.89196,0.40329,0.20434,-65.628,-0.32926,0.88919,-0.3177,115.36,-0.30983,0.21609,0.92591,37.309

> view matrix models
> #9,0.89196,0.40329,0.20434,-65.705,-0.32926,0.88919,-0.3177,115.99,-0.30983,0.21609,0.92591,37.089

> view matrix models
> #9,0.89196,0.40329,0.20434,-70.659,-0.32926,0.88919,-0.3177,115.64,-0.30983,0.21609,0.92591,36.956

> fitmap #9 inMap #3

Fit map Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc in map Dp71-PP1-Gactin-
DNAseI-P327_J147.mrc using 14216 points  
correlation = 0.8312, correlation about mean = 0.3931, overlap = 1379  
steps = 80, shift = 4.48, angle = 8.86 degrees  
  
Position of Dp71-PP1-Gactin-DNAseI-P327-J104-local.mrc (#9) relative to
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) coordinates:  
Matrix rotation and translation  
0.99995922 0.00865591 -0.00257508 -1.12092080  
-0.00863518 0.99993108 0.00795525 0.22258915  
0.00264377 -0.00793269 0.99996504 1.25271127  
Axis -0.66048288 -0.21695463 -0.71881364  
Axis point 19.37949742 145.49156150 -0.00000000  
Rotation angle (degrees) 0.68914249  
Shift along axis -0.20840871  
  

> select clear

> show #!4 models

> color #4 #ff807cff models

> fitmap #4 inMap #3

Fit map cryosparc_P512_J18_009_volume_map (1).mrc in map Dp71-PP1-Gactin-
DNAseI-P327_J147.mrc using 69091 points  
correlation = 0.7749, correlation about mean = 0.5625, overlap = 916.5  
steps = 60, shift = 0.0291, angle = 0.136 degrees  
  
Position of cryosparc_P512_J18_009_volume_map (1).mrc (#4) relative to
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) coordinates:  
Matrix rotation and translation  
0.94101303 -0.24145115 -0.23705659 80.66307416  
0.31421301 0.88350228 0.34741029 -90.35274341  
0.12555743 -0.40140387 0.90725424 45.51140870  
Axis -0.74844967 -0.36243752 0.55539368  
Axis point 0.00000000 51.94757440 279.94456387  
Rotation angle (degrees) 30.01611101  
Shift along axis -2.34827859  
  

> select clear

> select add #4

2 models selected  

> ui mousemode right "rotate selected models"

> view matrix models
> #4,0.99603,-0.047613,-0.075226,18.971,0.048386,0.99879,0.0084914,-8.1733,0.074731,-0.012098,0.99713,-8.6813

> fitmap #4 inMap #3

Fit map cryosparc_P512_J18_009_volume_map (1).mrc in map Dp71-PP1-Gactin-
DNAseI-P327_J147.mrc using 69091 points  
correlation = 0.7749, correlation about mean = 0.5625, overlap = 916.5  
steps = 84, shift = 0.315, angle = 5.06 degrees  
  
Position of cryosparc_P512_J18_009_volume_map (1).mrc (#4) relative to
Dp71-PP1-Gactin-DNAseI-P327_J147.mrc (#3) coordinates:  
Matrix rotation and translation  
0.94099603 -0.24150460 -0.23706960 80.67615334  
0.31424099 0.88357075 0.34721080 -90.33583312  
0.12561476 -0.40122098 0.90732721 45.46177456  
Axis -0.74822857 -0.36258589 0.55559470  
Axis point -0.00000000 51.88431625 280.02948965  
Rotation angle (degrees) 30.00898428  
Shift along axis -2.35138343  
  

> hide #!9 models

> select clear

> open /Users/udalwadi/Downloads/cryosparc_P512_J24_007_volume_map.mrc

Opened cryosparc_P512_J24_007_volume_map.mrc as #11, grid size 320,320,320,
pixel 0.929, shown at level 0.00421, step 2, values float32  

> hide #!3 models

> hide #!4 models

> close #10

> volume #11 step 1

> volume #11 level 0.01637


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

Log:
> isolde shorthand
    
    
    Initialising ISOLDE-specific command aliases:
    Alias	Equivalent full command
    -------------------------------------------------
    st	isolde step {arguments}
    aw	isolde add water {arguments}
    awsf	isolde add water {arguments} sim false
    al	isolde add ligand {arguments}
    aa	isolde add aa $1 sel {arguments}
    ht	isolde mod his sel {arguments}
    so	setattr sel atoms occupancy {arguments}
    ab	isolde adjust bfactors {arguments}
    ss	isolde sim start sel
    rt	isolde release torsions sel {arguments}
    rd	isolde release distances sel {arguments}
    ra	rd; rt
    pf	isolde pepflip sel
    cf	isolde cisflip sel
    cbb	color bfactor {arguments}
    cbo	color byattr occupancy {arguments}
    cbc	color {arguments} bychain; color {arguments} byhet
    cs	clipper set contourSensitivity {arguments}
    

  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 88.1
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.11.4
Locale: UTF-8
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,3
      Model Number: MKGR3LL/A
      Chip: Apple M1 Pro
      Total Number of Cores: 8 (6 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.121.1
      OS Loader Version: 10151.121.1

Software:

    System Software Overview:

      System Version: macOS 14.5 (23F79)
      Kernel Version: Darwin 23.5.0
      Time since boot: 43 days, 20 hours, 37 minutes

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 14
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 2.4.1
    Babel: 2.15.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 1.2.1
    certifi: 2023.11.17
    cftime: 1.6.4
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.17
    ChimeraX-AddH: 2.2.6
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.5
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.7
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.57.1
    ChimeraX-AtomicLibrary: 14.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.4.6
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.12.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.7
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-Clipper: 0.23.1
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.6
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.8
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2.4
    ChimeraX-DiffPlot: 1.0
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ISOLDE: 1.8
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.10
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.2
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.3
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7.1
    ChimeraX-MedicalToolbar: 1.0.3
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.17
    ChimeraX-ModelPanel: 1.5
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.5
    ChimeraX-PDB: 2.7.5
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.1
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.4.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.2
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.0.15
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.11.2
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.16.5
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.39.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.4.3
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.4
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.2
    contourpy: 1.2.1
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 3.0.10
    debugpy: 1.8.1
    decorator: 5.1.1
    docutils: 0.20.1
    executing: 2.0.1
    filelock: 3.13.4
    fonttools: 4.53.0
    funcparserlib: 2.0.0a0
    glfw: 2.7.0
    grako: 3.16.5
    h5py: 3.11.0
    html2text: 2024.2.26
    idna: 3.7
    ihm: 1.0
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.3
    jedi: 0.19.1
    jinja2: 3.1.4
    jupyter-client: 8.6.0
    jupyter-core: 5.7.2
    jupyterlab-widgets: 3.0.11
    kiwisolver: 1.4.5
    line-profiler: 4.1.2
    lxml: 5.2.1
    lz4: 4.3.3
    MarkupSafe: 2.1.5
    matplotlib: 3.8.4
    matplotlib-inline: 0.1.7
    msgpack: 1.0.8
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.10.0
    numpy: 1.26.4
    openvr: 1.26.701
    packaging: 23.2
    ParmEd: 4.2.2
    parso: 0.8.4
    pep517: 0.13.1
    pexpect: 4.9.0
    pillow: 10.3.0
    pip: 24.0
    pkginfo: 1.10.0
    platformdirs: 4.2.2
    prompt-toolkit: 3.0.47
    psutil: 5.9.8
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.8
    pydicom: 2.4.4
    pygments: 2.17.2
    pynmrstar: 3.3.4
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.3401
    pyparsing: 3.1.2
    pyproject-hooks: 1.1.0
    PyQt6-commercial: 6.6.1
    PyQt6-Qt6: 6.6.3
    PyQt6-sip: 13.6.0
    PyQt6-WebEngine-commercial: 6.6.0
    PyQt6-WebEngine-Qt6: 6.6.3
    python-dateutil: 2.9.0.post0
    pytz: 2024.1
    pyzmq: 26.0.3
    qtconsole: 5.5.1
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.13.0
    setuptools: 69.5.1
    setuptools-scm: 8.0.4
    sfftk-rw: 0.8.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 7.2.6
    sphinx-autodoc-typehints: 2.0.1
    sphinxcontrib-applehelp: 1.0.8
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.6
    sphinxcontrib-htmlhelp: 2.0.5
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.7
    sphinxcontrib-serializinghtml: 1.1.10
    stack-data: 0.6.3
    superqt: 0.6.3
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2024.1.30
    tinyarray: 1.2.4
    tornado: 6.4.1
    traitlets: 5.14.2
    typing-extensions: 4.12.2
    tzdata: 2024.1
    urllib3: 2.2.1
    wcwidth: 0.2.13
    webcolors: 1.13
    wheel: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.11

Change History (2)

comment:1 by pett, 15 months ago

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

comment:2 by Tom Goddard, 15 months ago

Resolution: duplicate
Status: assignedclosed

Likes Qt 6.6 bug. Have not yet seen it in Qt 6.7. The usual _NSViewHierarchyDidChangeBackingProperties crash, probably waking from sleep.

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