#14619 closed defect (can't reproduce)

Crash in garbage collection

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

Description

The following bug report has been submitted:
Platform:        macOS-12.5.1-x86_64-i386-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 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 0x0000000117013600 (most recent call first):
  Garbage-collecting
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/serialize.py", line 81 in msgpack_deserialize
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/session.py", line 721 in restore
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/session.py", line 1017 in open
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core_formats/__init__.py", line 37 in open
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 484 in remember_data_format
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 514 in collated_open
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 213 in provider_open
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2908 in run
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 131 in cmd_open
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2908 in run
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py", line 49 in run
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 1979 in _open_dropped_file
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 240 in event
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 275 in event_loop
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 918 in init
  File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1069 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtWebChannel, PyQt6.QtNetwork, PyQt6.QtWebEngineCore, PyQt6.QtPrintSupport, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, chimerax.surface._surface, chimerax.pdb_lib._load_libs, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, 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, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw (total: 61)


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{
  "uptime" : 240000,
  "procLaunch" : "2024-02-21 15:40:01.3544 +0000",
  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 504,
  "deployVersion" : 210,
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  "procStartAbsTime" : 243501053801233,
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  "captureTime" : "2024-02-21 18:18:36.4902 +0000",
  "incident" : "3D02A25B-02E5-4CBB-8B13-4B3F41F6EE58",
  "bug_type" : "309",
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  "procExitAbsTime" : 248867573350359,
  "cpuType" : "X86-64",
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.7.1.app\/Contents\/MacOS\/ChimeraX",
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  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "15AC398D-6EF0-7941-5920-37C63E551743",
  "wakeTime" : 3996,
  "bridgeVersion" : {"build":"19P6066","train":"6.6"},
  "sleepWakeUUID" : "F1B27756-9891-4630-889F-B2ED91F819E8",
  "sip" : "enabled",
  "vmRegionInfo" : "0xa9 is not in any region.  Bytes before following region: 140737486925655\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      VM_ALLOCATE              7fffffea3000-7fffffea4000 [    4K] r-x\/r-x SM=ALI  ",
  "isCorpse" : 1,
  "exception" : {"codes":"0x0000000000000001, 0x00000000000000a9","rawCodes":[1,169],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x00000000000000a9"},
  "vmregioninfo" : "0xa9 is not in any region.  Bytes before following region: 140737486925655\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      VM_ALLOCATE              7fffffea3000-7fffffea4000 [    4K] r-x\/r-x SM=ALI  ",
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  "faultingThread" : 0,
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===== Log before crash start =====
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/mandywan/Library/CloudStorage/OneDrive-
> TheInstituteofCancerResearch/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinuc_struc_tails.pdb
> format pdb

Chain information for Dinuc_struc_tails.pdb #1  
---  
Chain | Description  
A a | No description available  
  

> open 8JHO

8jho title:  
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-
nucleosome [more info...]  
  
Chain information for 8jho #2  
---  
Chain | Description | UniProt  
A E a e | Histone H3 | A0A310TTQ1_XENLA 1-135  
B F b f | Histone H4 | A0A8J1LTD2_XENLA 1-102  
C G c g | Histone H2A | Q6AZJ8_XENLA 1-129  
D H d h | Histone H2B | A0A8J0U496_XENLA 1-122  
I | Di-nucleosome template foward |  
J | Di-nucleosome template reverse |  
K | Transcriptional regulatory protein SIN3 | SIN3_YEAST 1-1536  
L | Histone deacetylase RPD3 | RPD3_YEAST 1-433  
M O | Chromatin modification-related protein EAF3 | A0A8H4F719_YEASX 1-401  
N P | RCO1 isoform 1 | A0A8H4BXB0_YEASX 1-684  
  
Non-standard residues in 8jho #2  
---  
ML3 — 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium  
ZN — zinc ion  
  

> hide #1 models

> show #1 models

> hide surfaces

> hide cartoons

> hide atoms

> show atoms

> style stick

Changed 42987 atom styles  

> nucleotides atoms

> style nucleic stick

Changed 13940 atom styles  

> nucleotides atoms

> style nucleic stick

Changed 13940 atom styles  

> style stick

Changed 42987 atom styles  

> hide atoms

> show cartoons

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> cartoon style nucleic xsection oval width 1.6 thickness 1.6

> color #2/I,J rgb(0.4,0.4,0.4)

> nucleotides ladder

> nucleotides stubs

> show atoms

> undo

> show #2/I,J atoms

> cartoon style #1 thickness 1.6

> ui tool show "Show Sequence Viewer"

> color #1 rgb(1,1,0.5)

> color #1 rgb(1.0,1.0,0.5)

> color #2/K slate blue

> color #2/M,O dark cyan

> hide #1 models

> show #1 models

> hide #1 models

> show #1 models

> color #2/N,P deep pink

> color #2/L burly wood

> color #A,E,a,e rgb(1.0,1.0,0.5)

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

> color /A,E,a,e rgb(1.0,1.0,0.5)

> color /B,F,b,f rgb(0.65,0.9,0.65)

> color /C,G,c,g rgb(0.0,0.5,1.0)

> color /D,H,d,h rgb(1.0,0.75,0.87)

Drag select of 3 residues, 2 shapes  

> save "/Users/mandywan/OneDrive - The Institute of Cancer
> Research/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinucleosome_struc2.cxs"
> includeMaps true

> open 36283 fromDatabase emdb

Opened emdb 36283 as #3, grid size 400,400,400, pixel 1.05, shown at level
0.0066, step 2, values float32, fit PDB 8jho  

> transparency 70%

Missing or invalid "percent" argument: Expected a number  

> transparency 70

> volume #3 step 1

> volume #3 level 0.0066

> volume #3 level 0.007564

> volume #3 level 0.00925

> volume #3 level 0.009009

> open 7HXY

Fetching url http://files.rcsb.org/download/7hxy.cif failed:  
HTTP Error 404: Not Found  

> open 8HXY

Summary of feedback from opening 8HXY fetched from pdb  
---  
note | Fetching compressed mmCIF 8hxy from
http://files.rcsb.org/download/8hxy.cif  
  
8hxy title:  
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with
nucleosome [more info...]  
  
Chain information for 8hxy #4  
---  
Chain | Description | UniProt  
A E | Histone H3 | A0A310TTQ1_XENLA 1-135  
B F | Histone H4 | A0A8J1LTD2_XENLA 1-102  
C G | Histone H2A | Q6AZJ8_XENLA 1-129  
D H | Histone H2B | A0A8J0U496_XENLA 1-122  
I | DNA (352-MER) |  
J | DNA (352-MER) |  
K | Transcriptional regulatory protein SIN3 | SIN3_YEAST 1-1536  
L | Histone deacetylase RPD3 | RPD3_YEAST 1-433  
M | Chromatin modification-related protein EAF3 | A0A8H4F719_YEASX 1-401  
N P | Transcriptional regulatory protein RCO1 | A0A8H4BXB0_YEASX 1-684  
  
Non-standard residues in 8hxy #4  
---  
ML3 — 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium  
ZN — zinc ion  
  

> style sel stick

Changed 63 atom styles  

> hide sel surfaces

> hide sel cartoons

> hide sel atoms

> undo

> cartoon style #4

8hxy #4  
\- helix mode=default xsection=round width=2 height=0.4 arrow=False arrow
scale=2  
\- strand mode=default xsection=square width=2 height=0.4 arrow=True arrow
scale=2  
\- coil xsection=round width=0.4 height=0.4  
\- nucleic xsection=square width=0.4 height=2  
\- divisions=20  
\- oval parameters: sides=12  
\- barbell parameters: sides=18 scale=0.5  

> cartoon #4

> select add #4

26263 atoms, 27486 bonds, 460 pseudobonds, 2725 residues, 4 models selected  

> ui tool show "Fit in Map"

> fitmap #4 inMap #3

Fit molecule 8hxy (#4) to map emdb 36283 (#3) using 26263 atoms  
average map value = -5.779e-06, steps = 324  
shifted from previous position = 55.5  
rotated from previous position = 38.9 degrees  
atoms outside contour = 26263, contour level = 0.0090094  
  
Position of 8hxy (#4) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.80736002 0.35625844 0.47037190 -134.98102382  
-0.22657756 0.92322711 -0.31034546 99.70702296  
-0.54482328 0.14398479 0.82609683 95.91162550  
Axis 0.36181977 0.80848169 -0.46415925  
Axis point 67.84594802 0.00000000 304.94847640  
Rotation angle (degrees) 38.89098156  
Shift along axis -12.74576899  
  

> select subtract #4

Nothing selected  
Average map value = -5.779e-06 for 26263 atoms, 26263 outside contour  

> fitmap #4 inMap #3

Fit molecule 8hxy (#4) to map emdb 36283 (#3) using 26263 atoms  
average map value = -5.779e-06, steps = 40  
shifted from previous position = 0.0119  
rotated from previous position = 0.0071 degrees  
atoms outside contour = 26263, contour level = 0.0090094  
  
Position of 8hxy (#4) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.80741227 0.35626966 0.47027370 -134.97452409  
-0.22657182 0.92320907 -0.31040331 99.72827462  
-0.54474823 0.14407267 0.82613100 95.88488871  
Axis 0.36196027 0.80839830 -0.46419496  
Axis point 67.81678095 0.00000000 304.97599705  
Rotation angle (degrees) 38.88786113  
Shift along axis -12.74452944  
  

> hide #4

> fitmap #4 inMap #3

Fit molecule 8hxy (#4) to map emdb 36283 (#3) using 26263 atoms  
average map value = -5.779e-06, steps = 48  
shifted from previous position = 0.0166  
rotated from previous position = 0.00735 degrees  
atoms outside contour = 26263, contour level = 0.0090094  
  
Position of 8hxy (#4) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.80735451 0.35627455 0.47036915 -134.98527098  
-0.22659650 0.92322245 -0.31034551 99.70635686  
-0.54482357 0.14397485 0.82609837 95.91438897  
Axis 0.36180881 0.80847284 -0.46418320  
Axis point 67.84459739 0.00000000 304.95593493  
Rotation angle (degrees) 38.89137536  
Shift along axis -12.75082748  
  

> fitmap #4 inMap #3

Fit molecule 8hxy (#4) to map emdb 36283 (#3) using 26263 atoms  
average map value = -5.779e-06, steps = 40  
shifted from previous position = 0.0153  
rotated from previous position = 0.00868 degrees  
atoms outside contour = 26263, contour level = 0.0090094  
  
Position of 8hxy (#4) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.80742132 0.35626006 0.47026543 -134.97182215  
-0.22655219 0.92320864 -0.31041893 99.72552448  
-0.54474297 0.14409920 0.82612984 95.88026602  
Axis 0.36199650 0.80839348 -0.46417510  
Axis point 67.80906704 0.00000000 304.96819286  
Rotation angle (degrees) 38.88752089  
Shift along axis -12.74709612  
  

> fitmap #4 inMap #3

Fit molecule 8hxy (#4) to map emdb 36283 (#3) using 26263 atoms  
average map value = -5.778e-06, steps = 40  
shifted from previous position = 0.0152  
rotated from previous position = 0.00415 degrees  
atoms outside contour = 26263, contour level = 0.0090094  
  
Position of 8hxy (#4) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.80739356 0.35625613 0.47031607 -134.97645811  
-0.22656535 0.92321956 -0.31037685 99.70516412  
-0.54477865 0.14403895 0.82611682 95.89614245  
Axis 0.36190433 0.80843838 -0.46416876  
Axis point 67.82497140 0.00000000 304.95208714  
Rotation angle (degrees) 38.88888349  
Shift along axis -12.75507699  
  

> ui tool show Matchmaker

> matchmaker #!4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker Dinuc_struc_tails.pdb, chain A (#1) with 8hxy, chain A (#4),
sequence alignment score = 48.4  
RMSD between 10 pruned atom pairs is 0.173 angstroms; (across all 10 pairs:
0.173)  
  

> undo

> redo

> open 35082 fromDatabase emdb

Summary of feedback from opening 35082 fetched from emdb  
---  
notes | Fetching compressed map 35082 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-35082/map/emd_35082.map.gz  
Fetching map header 35082 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-35082/header/emd-35082.xml  
  
Opened emdb 35082 as #5, grid size 256,256,256, pixel 1.05, shown at level
0.03, step 1, values float32, fit PDB 8hxy  

> fitmap #4 inMap #5

Fit molecule 8hxy (#4) to map emdb 35082 (#5) using 26263 atoms  
average map value = 0.0008659, steps = 288  
shifted from previous position = 66.4  
rotated from previous position = 24.1 degrees  
atoms outside contour = 26263, contour level = 0.03  
  
Position of 8hxy (#4) relative to emdb 35082 (#5) coordinates:  
Matrix rotation and translation  
0.18211634 -0.62546900 -0.75869768 427.26680800  
-0.91436876 -0.39149278 0.10326262 461.95502534  
-0.36161223 0.67492365 -0.64320655 190.94153111  
Axis 0.75855799 -0.52690725 -0.38335169  
Axis point 0.00000000 354.38060411 263.50739153  
Rotation angle (degrees) 157.86391425  
Shift along axis 7.50144247  
  

> hide #!5 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> close #5

> volume #3 level 0.007564

> surface #2/

Expected an atoms specifier or a keyword  

> surface #2/L

> lighting simple

> lighting soft

> lighting full

> lighting soft

> lighting full

> lighting soft

> set bgColor white

> lighting simple

> lighting soft

> lighting full

> color /C,G,c,g royal blue

> color /D,H,d,h (1.0,0.75,0.87)

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

> color /D,H,d,h rgb(1.0,0.75,0.87)

> transparency #2 50

> transparency #2 70

> transparency #2 20

> transparency #2 30

> transparency #2 40

> color #2/L rgb(0.99,0.82,0.65)

> transparency #2 40

> transparency #2 30

> transparency #2 20

> transparency #2 10

> transparency #2 50

> transparency #2 40

> lighting simple

> lighting soft

> lighting full

> transparency #3 40

> transparency #3 50

> transparency #3 70

> transparency #3 30

> transparency #3 40

> transparency #3 30

> transparency #3 50

> surface #2/N,M,L,K

> surface #2/N,M,L,K,O,P

> undo

> surface #2/N,M,L,K

> hide surfaces #2/O,P

Expected ',' or a keyword  

> hide surfaces #2/O,P

Expected ',' or a keyword  

> ~surface #2/O,P

> ~surface #2/N,M,L,K

> open 35081 fromDatabase emdb

Summary of feedback from opening 35081 fetched from emdb  
---  
notes | Fetching compressed map 35081 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-35081/map/emd_35081.map.gz  
Fetching map header 35081 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-35081/header/emd-35081.xml  
  
Opened emdb 35081 as #5, grid size 256,256,256, pixel 1.05, shown at level
0.0135, step 1, values float32, fit PDB 8hxx  

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.01303, steps = 84  
shifted from previous position = 1.49  
rotated from previous position = 1.15 degrees  
atoms outside contour = 13151, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.99981319 -0.01519254 -0.01194854 5.69483194  
0.01525831 0.99986883 0.00543239 -3.32790881  
0.01186444 -0.00561369 0.99991386 -2.16352830  
Axis -0.27475368 -0.59230995 0.75741623  
Axis point 268.94024873 349.25268408 0.00000000  
Rotation angle (degrees) 1.15182564  
Shift along axis -1.23221400  
  

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 77178 points  
correlation = 0.7408, correlation about mean = 0.133, overlap = 2.29  
steps = 628, shift = 124, angle = 12.2 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98920703 0.12489032 0.07662806 -14.23972201  
-0.11171858 0.98124879 -0.15706611 59.98940524  
-0.09480723 0.14681012 0.98461077 115.50987072  
Axis 0.72083386 0.40666677 -0.56126703  
Axis point 0.00000000 -532.50448220 576.78120646  
Rotation angle (degrees) 12.16812733  
Shift along axis -50.70065828  
  

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 77178 points  
correlation = 0.7409, correlation about mean = 0.133, overlap = 2.29  
steps = 44, shift = 0.0172, angle = 0.00855 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98922680 0.12476281 0.07658057 -14.23385105  
-0.11160550 0.98127227 -0.15699984 59.96184917  
-0.09473413 0.14676164 0.98462504 115.49857769  
Axis 0.72101794 0.40663804 -0.56105136  
Axis point 0.00000000 -532.81392555 576.74552571  
Rotation angle (degrees) 12.16030948  
Shift along axis -50.68072740  
  

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 77178 points  
correlation = 0.7409, correlation about mean = 0.133, overlap = 2.29  
steps = 40, shift = 0.00512, angle = 0.0116 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98925306 0.12456976 0.07655558 -14.20980922  
-0.11142405 0.98130346 -0.15693374 59.91995306  
-0.09467346 0.14671705 0.98463752 115.49234470  
Axis 0.72131112 0.40674820 -0.56059447  
Axis point -0.00000000 -533.38445172 576.56621718  
Rotation angle (degrees) 12.15079427  
Shift along axis -50.62173088  
  

> open 35082 fromDatabase emdb

Opened emdb 35082 as #6, grid size 256,256,256, pixel 1.05, shown at level
0.03, step 1, values float32, fit PDB 8hxy  

> fitmap #6 inMap #3

Fit map emdb 35082 in map emdb 36283 using 137879 points  
correlation = 0.04101, correlation about mean = 0.0363, overlap = 0.1579  
steps = 408, shift = 65.8, angle = 34.3 degrees  
  
Position of emdb 35082 (#6) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.83002691 0.11306315 0.54614289 -127.05113795  
-0.16595560 0.98494900 0.04831368 40.10259507  
-0.53246039 -0.13073712 0.83629764 119.92242510  
Axis -0.15867614 0.95586619 -0.24726848  
Axis point 154.85301937 0.00000000 272.44851364  
Rotation angle (degrees) 34.34689659  
Shift along axis 28.83966372  
  

> hide #!5 models

> close #5

> close #6

> open 35081 fromDatabase emdb

Opened emdb 35081 as #5, grid size 256,256,256, pixel 1.05, shown at level
0.0135, step 1, values float32, fit PDB 8hxx  

> volume #5 level 0.01492

> volume #5 level 0.0135

> volume #5 level 0.01528

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.7501, correlation about mean = 0.1202, overlap = 2.153  
steps = 676, shift = 124, angle = 12.1 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98939564 0.12015212 0.08160718 -14.18603821  
-0.10620192 0.98173516 -0.15785193 59.27347054  
-0.09908288 0.14751118 0.98408487 115.95656871  
Axis 0.72555185 0.42932496 -0.53782394  
Axis point 0.00000000 -552.69586595 567.85192373  
Rotation angle (degrees) 12.14784968  
Shift along axis -47.20934497  
  

> fitmap #5 inMap #3 metric correlation

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.8144, correlation about mean = 0.1298, overlap = 1.857  
steps = 136, shift = 6.95, angle = 19.2 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.95131278 0.20632824 -0.22898176 11.80469811  
-0.25694936 0.94118296 -0.21943486 97.18243585  
0.17023812 0.26758791 0.94837529 62.23418195  
Axis 0.62295947 -0.51064922 -0.59258660  
Axis point 0.00000000 -7.02044215 260.56361502  
Rotation angle (degrees) 23.01016501  
Shift along axis -79.15142910  
  

> fitmap #5 inMap #3 metric correlation

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.8144, correlation about mean = 0.1298, overlap = 1.857  
steps = 40, shift = 0.00643, angle = 0.00133 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.95131514 0.20630820 -0.22899003 11.81311889  
-0.25693391 0.94118449 -0.21944641 97.18111392  
0.17024827 0.26759800 0.94837062 62.22747418  
Axis 0.62298566 -0.51067158 -0.59253979  
Axis point 0.00000000 -7.02867722 260.56344632  
Rotation angle (degrees) 23.01022287  
Shift along axis -79.14048369  
  

> fitmap #5 inMap #3 metric correlation

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.8144, correlation about mean = 0.1298, overlap = 1.857  
steps = 48, shift = 0.00512, angle = 0.00617 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.95132248 0.20635803 -0.22891464 11.79566434  
-0.25697085 0.94116310 -0.21949487 97.19898510  
0.17015148 0.26763479 0.94837761 62.23909035  
Axis 0.62308146 -0.51044049 -0.59263818  
Axis point 0.00000000 -7.01223637 260.64504895  
Rotation angle (degrees) 23.01074024  
Shift along axis -79.14989857  
  
Correlation = 0.8144, Correlation about mean = 0.1298, Overlap = 1.857  
  

> fitmap #5 inMap #3 metric cam

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.7826, correlation about mean = 0.1769, overlap = 1.83  
steps = 156, shift = 9.68, angle = 15.7 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.96600153 0.16994144 -0.19483569 10.67086071  
-0.24444876 0.84574362 -0.47430215 132.80677431  
0.08417746 0.50580394 0.85853161 53.47424980  
Axis 0.89094092 -0.25362992 -0.37669104  
Axis point 0.00000000 -0.94289344 256.61144526  
Rotation angle (degrees) 33.36974963  
Shift along axis -44.31993584  
  

> fitmap #2 inMap #5

Fit molecule 8jho (#2) to map emdb 35081 (#5) using 42813 atoms  
average map value = 0.002236, steps = 808  
shifted from previous position = 65.2  
rotated from previous position = 20.3 degrees  
atoms outside contour = 41844, contour level = 0.015275  
  
Position of 8jho (#2) relative to emdb 35081 (#5) coordinates:  
Matrix rotation and translation  
0.99723440 0.05928757 0.04481678 -84.00347569  
-0.07153422 0.92926586 0.36241939 -127.92858091  
-0.02015973 -0.36462301 0.93093697 -71.63525434  
Axis -0.98040889 0.08762013 -0.17641179  
Axis point 0.00000000 -218.54305667 330.58789023  
Rotation angle (degrees) 21.76405662  
Shift along axis 83.78593966  
  

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.01303, steps = 472  
shifted from previous position = 65.2  
rotated from previous position = 20.3 degrees  
atoms outside contour = 13154, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.99981479 -0.01515479 -0.01186217 5.68056937  
0.01521933 0.99986976 0.00536897 -3.31142014  
0.01177926 -0.00554851 0.99991523 -2.15083773  
Axis -0.27287765 -0.59090732 0.75918794  
Axis point 268.18095539 349.47915962 -0.00000000  
Rotation angle (degrees) 1.14624124  
Shift along axis -1.22624808  
  

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.7501, correlation about mean = 0.1202, overlap = 2.153  
steps = 192, shift = 9.64, angle = 25.7 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98938462 0.12021951 0.08164160 -14.20138256  
-0.10625304 0.98171267 -0.15795734 59.30490700  
-0.09913815 0.14760589 0.98406510 115.95518391  
Axis 0.72560073 0.42928567 -0.53778936  
Axis point 0.00000000 -552.30010817 567.68201061  
Rotation angle (degrees) 12.15510087  
Shift along axis -47.20525068  
  

> fitmap #5 inMap #3

Fit map emdb 35081 in map emdb 36283 using 66947 points  
correlation = 0.7501, correlation about mean = 0.1203, overlap = 2.153  
steps = 44, shift = 0.00958, angle = 0.00986 degrees  
  
Position of emdb 35081 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.98940099 0.12011757 0.08159325 -14.18101529  
-0.10617263 0.98174301 -0.15782282 59.26271540  
-0.09906090 0.14748708 0.98409070 115.95508528  
Axis 0.72557774 0.42932978 -0.53778517  
Axis point 0.00000000 -552.82488963 567.86588218  
Rotation angle (degrees) 12.14526063  
Shift along axis -47.20510550  
  

> select add #5

2 models selected  
Drag select of 5 emdb 35081  

> ui mousemode right "translate selected models"

> ui mousemode right "move picked models"

> ui mousemode right select

> ui mousemode right "translate selected models"

> view matrix models
> #5,0.9894,0.12012,0.081593,121.86,-0.10617,0.98174,-0.15782,96.351,-0.099061,0.14749,0.98409,28.646

> select add #4

26263 atoms, 27486 bonds, 460 pseudobonds, 2725 residues, 6 models selected  

> show #!4 models

> select subtract #4

2 models selected  

> hide #!4 models

> open 8HXX

Summary of feedback from opening 8HXX fetched from pdb  
---  
note | Fetching compressed mmCIF 8hxx from
http://files.rcsb.org/download/8hxx.cif  
  
8hxx title:  
Cryo-EM structure of the histone deacetylase complex Rpd3S [more info...]  
  
Chain information for 8hxx #6  
---  
Chain | Description | UniProt  
E | Histone H3 | A0A310TTQ1_XENLA 1-135  
K | Transcriptional regulatory protein SIN3 | SIN3_YEAST 1-1536  
L | Histone deacetylase RPD3 | RPD3_YEAST 1-433  
M O | Chromatin modification-related protein EAF3 | A0A8H4F719_YEASX 1-401  
N P | RCO1 isoform 1 | A0A8H4BXB0_YEASX 1-684  
  
Non-standard residues in 8hxx #6  
---  
ZN — zinc ion  
  

> hide surfaces #6

Expected ',' or a keyword  

> ~surface #6

> show #1#!2,6 cartoons

> ~surface #6

> cartoon #6

> ui tool show "Fit in Map"

> fitmap #6 inMap #3

Fit molecule 8hxx (#6) to map emdb 36283 (#3) using 14873 atoms  
average map value = 0.007384, steps = 1324  
shifted from previous position = 192  
rotated from previous position = 84.9 degrees  
atoms outside contour = 8440, contour level = 0.0075638  
  
Position of 8hxx (#6) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.09978045 0.90768477 0.40761774 38.43434035  
-0.96868019 0.18223183 -0.16867202 322.90482788  
-0.22738194 -0.37802106 0.89743943 267.95201370  
Axis -0.10509844 0.31878567 -0.94198196  
Axis point 220.22121701 193.84102671 0.00000000  
Rotation angle (degrees) 84.85216422  
Shift along axis -153.50792245  
  

> fitmap #6 inMap #5

Fit molecule 8hxx (#6) to map emdb 35081 (#5) using 14873 atoms  
average map value = -0.0007173, steps = 88  
shifted from previous position = 1.17  
rotated from previous position = 4.43 degrees  
atoms outside contour = 14873, contour level = 0.015275  
  
Position of 8hxx (#6) relative to emdb 35081 (#5) coordinates:  
Matrix rotation and translation  
0.23343365 0.91014681 0.34225943 -131.97554074  
-0.96245141 0.26641879 -0.05204139 248.64620284  
-0.13854965 -0.31725986 0.93816319 203.78654595  
Axis -0.13590868 0.24638603 -0.95959510  
Axis point 100.10439965 246.69161615 0.00000000  
Rotation angle (degrees) 77.34923611  
Shift along axis -116.35299942  
  

> view matrix models
> #5,0.9894,0.12012,0.081593,124.47,-0.10617,0.98174,-0.15782,55.166,-0.099061,0.14749,0.98409,52.618

> view matrix models
> #5,0.9894,0.12012,0.081593,159.95,-0.10617,0.98174,-0.15782,-42.27,-0.099061,0.14749,0.98409,106.38

> view matrix models
> #5,0.9894,0.12012,0.081593,173.46,-0.10617,0.98174,-0.15782,-59.056,-0.099061,0.14749,0.98409,114.9

> ui mousemode right select

> select #6/N:92@ND2

1 atom, 1 residue, 1 model selected  

> select add #6

14873 atoms, 15195 bonds, 36 pseudobonds, 1824 residues, 3 models selected  

> ui mousemode right "translate selected models"

> view matrix models
> #6,0.10405,0.90662,0.40893,28.485,-0.9478,0.21499,-0.23549,387.98,-0.30142,-0.36308,0.88166,248.38

> view matrix models
> #6,0.10405,0.90662,0.40893,18.191,-0.9478,0.21499,-0.23549,473.12,-0.30142,-0.36308,0.88166,188.87

> hide sel atoms

> ui tool show Matchmaker

> matchmaker #!2 to #6

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 8hxx, chain K (#6) with 8jho, chain K (#2), sequence alignment
score = 6474.3  
RMSD between 549 pruned atom pairs is 0.199 angstroms; (across all 549 pairs:
0.199)  
  

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.0001283, steps = 784  
shifted from previous position = 96.9  
rotated from previous position = 30.9 degrees  
atoms outside contour = 42813, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.72834200 -0.34573474 -0.59159565 97.43009351  
-0.68149783 -0.27570900 -0.67789767 726.41678596  
0.07126453 0.89691250 -0.43642792 89.56609192  
Axis 0.90438437 -0.38066835 -0.19282253  
Axis point 0.00000000 367.61128453 264.28163066  
Rotation angle (degrees) 119.46537244  
Shift along axis -205.67998503  
  

> undo

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.0001283, steps = 76  
shifted from previous position = 0.0488  
rotated from previous position = 0.0505 degrees  
atoms outside contour = 42813, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.72784539 -0.34625506 -0.59190245 97.75586173  
-0.68197094 -0.27510514 -0.67766717 726.37739434  
0.07181028 0.89689720 -0.43636990 89.39943104  
Axis 0.90419473 -0.38113752 -0.19278509  
Axis point 0.00000000 367.73688204 264.25423815  
Rotation angle (degrees) 119.45993471  
Shift along axis -205.69421913  
  

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.0001283, steps = 100  
shifted from previous position = 0.0103  
rotated from previous position = 0.00923 degrees  
atoms outside contour = 42813, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.72792795 -0.34616908 -0.59185123 97.70017775  
-0.68189432 -0.27523035 -0.67769344 726.38710680  
0.07170109 0.89689198 -0.43639859 89.43861713  
Axis 0.90422774 -0.38105421 -0.19279492  
Axis point 0.00000000 367.71402087 264.25938814  
Rotation angle (degrees) 119.46228226  
Shift along axis -205.69296922  
  

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.0001283, steps = 104  
shifted from previous position = 0.0227  
rotated from previous position = 0.0246 degrees  
atoms outside contour = 42813, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.72817642 -0.34590544 -0.59169970 97.53792390  
-0.68165589 -0.27550674 -0.67782098 726.40298652  
0.07144470 0.89690884 -0.43640599 89.50967529  
Axis 0.90432102 -0.38082433 -0.19281161  
Axis point 0.00000000 367.65295955 264.27238549  
Rotation angle (degrees) 119.46344435  
Shift along axis -205.68483847  
  

> close #5

> hide #!6 models

> fitmap #2 inMap #3

Fit molecule 8jho (#2) to map emdb 36283 (#3) using 42813 atoms  
average map value = 0.0001283, steps = 96  
shifted from previous position = 0.0376  
rotated from previous position = 0.0322 degrees  
atoms outside contour = 42813, contour level = 0.0075638  
  
Position of 8jho (#2) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.72785905 -0.34628785 -0.59186648 97.74913213  
-0.68195792 -0.27517534 -0.67765177 726.39972736  
0.07179551 0.89686301 -0.43644260 89.42971413  
Axis 0.90420416 -0.38112436 -0.19276687  
Axis point 0.00000000 367.73677550 264.25461763  
Rotation angle (degrees) 119.46418729  
Shift along axis -205.70254289  
  
Opened 8jho map 5 as #5, grid size 124,118,186, pixel 1.67, shown at level
0.101, step 1, values float32  

> fitmap #2 inMap #3 resolution 5

Fit map 8jho map 5 in map emdb 36283 using 156378 points  
correlation = 0.3254, correlation about mean = -0.00831, overlap = 5.777  
steps = 68, shift = 0.472, angle = 0.523 degrees  
  
Position of 8jho map 5 (#5) relative to emdb 36283 (#3) coordinates:  
Matrix rotation and translation  
0.73203849 -0.34017073 -0.59025717 94.63424804  
-0.67819095 -0.28168408 -0.67875703 726.98647447  
0.06462722 0.89718334 -0.43690430 91.26196499  
Axis 0.90584462 -0.37642509 -0.19429276  
Axis point 0.00000000 366.66005673 264.64136770  
Rotation angle (degrees) 119.55606255  
Shift along axis -205.66356583  
  
Average map value = 0.0001285 for 32643 atoms, 42813 outside contour  

> open 8JHO

8jho title:  
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-
nucleosome [more info...]  
  
Chain information for 8jho #7  
---  
Chain | Description | UniProt  
A E a e | Histone H3 | A0A310TTQ1_XENLA 1-135  
B F b f | Histone H4 | A0A8J1LTD2_XENLA 1-102  
C G c g | Histone H2A | Q6AZJ8_XENLA 1-129  
D H d h | Histone H2B | A0A8J0U496_XENLA 1-122  
I | Di-nucleosome template foward |  
J | Di-nucleosome template reverse |  
K | Transcriptional regulatory protein SIN3 | SIN3_YEAST 1-1536  
L | Histone deacetylase RPD3 | RPD3_YEAST 1-433  
M O | Chromatin modification-related protein EAF3 | A0A8H4F719_YEASX 1-401  
N P | RCO1 isoform 1 | A0A8H4BXB0_YEASX 1-684  
  
Non-standard residues in 8jho #7  
---  
ML3 — 2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-N,N,N-trimethylethanaminium  
ZN — zinc ion  
  

> hide #!2 models

> hide #1#!7 atoms

> show #1#!7 atoms

> show #1#!7 cartoons

> hide #1#!7 atoms

> color #2/L rgb(0.99,0.82,0.65)

> color /C,G,c,g royal blue

> cartoon style nucleic xsection oval width 1.6 thickness 1.6

> color #2/I,J rgb(0.4,0.4,0.4)

> show #2/I,J atoms

> cartoon style #1 thickness 1.6

> color #1 rgb(1,1,0.5)

> color #1 rgb(1.0,1.0,0.5)

> color #2/K slate blue

> color #2/M,O dark cyan

> color #2/N,P deep pink

> color #2/L burly wood

> color /A,E,a,e rgb(1.0,1.0,0.5)

> color /B,F,b,f rgb(0.65,0.9,0.65)

> color /C,G,c,g rgb(0.0,0.5,1.0)

> color /D,H,d,h rgb(1.0,0.75,0.87)

> color #/D,H,d,h rgb(1.0,0.75,0.87)

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

> color #7/D,H,d,h rgb(1.0,0.75,0.87)

> color #7/C,G,c,g rgb(0.0,0.5,1.0)

> color #7/B,F,b,f rgb(0.65,0.9,0.65)

> color #7/A,E,a,e rgb(1.0,1.0,0.5)

> color #7/L burly wood

> color #7/N,P deep pink

> color #7/M,O dark cyan

> cartoon style 71 thickness 1.6

Expected an atoms specifier or a keyword  

> cartoon style #7/1 thickness 1.6

> color #7/I,J rgb(0.4,0.4,0.4)

> color #7/K slate blue

> nucleotides #1#!7 stubs

> nucleotides stubs

> show #1#!7 atoms

> hide #1#!7 atoms

> show #7/I,J atoms

> save "/Users/mandywan/OneDrive - The Institute of Cancer
> Research/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinucleosome_struc2.cxs"

> lighting full

> lighting simple

> lighting soft

> lighting full

> lighting simple

> lighting soft

> lighting full

> set bgColor white

> transparency 50

> transparency 40

> transparency 70

> transparency 80

> transparency 90

> transparency 80

> close #5

> volume #3 level 0.007443

> save "/Users/mandywan/OneDrive - The Institute of Cancer
> Research/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinucleosome_struc.png"
> width 1038 height 932 supersample 3 transparentBackground true

> lighting simple

> lighting soft

> lighting full

> lighting simple

> save "/Users/mandywan/OneDrive - The Institute of Cancer
> Research/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinucleosome_struc2.png"
> width 1038 height 932 supersample 3 transparentBackground true

> open /Users/mandywan/Library/CloudStorage/OneDrive-
> TheInstituteofCancerResearch/Sin3B_Project/Writing/Thesis/Thesis_figures/Discussion_figs/Dinucleosome_struc2.cxs


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

Log:
Startup Messages  
---  
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle  
  
UCSF ChimeraX version: 1.7.1 (2024-01-23)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 INTEL-18.8.4
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics 655
OpenGL vendor: Intel Inc.

Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro15,2
      Processor Name: Quad-Core Intel Core i5
      Processor Speed: 2.4 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 256 KB
      L3 Cache: 6 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 1731.140.2.0.0 (iBridge: 19.16.16066.0.0,0)
      OS Loader Version: 540.120.3~19

Software:

    System Software Overview:

      System Version: macOS 12.5.1 (21G83)
      Kernel Version: Darwin 21.6.0
      Time since boot: 4 days 5:58

Graphics/Displays:

    Intel Iris Plus Graphics 655:

      Chipset Model: Intel Iris Plus Graphics 655
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x3ea5
      Revision ID: 0x0001
      Metal Family: Supported, Metal GPUFamily macOS 2
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Framebuffer Depth: 24-Bit Color (ARGB8888)
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        DELL U2717D:
          Resolution: 2560 x 1440 (QHD/WQHD - Wide Quad High Definition)
          UI Looks like: 2560 x 1440 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: J0XYN7CL625S
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: DVI or HDMI
          Adapter Firmware Version: 5.04


Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.4.1
    Babel: 2.14.0
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    blosc2: 2.0.0
    build: 0.10.0
    certifi: 2022.12.7
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.13
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.2
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.49.1
    ChimeraX-AtomicLibrary: 12.1.5
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.10.5
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.3.2
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.5
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.3
    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-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.1.6
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.1
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.6.1
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12.1
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.14
    ChimeraX-ModelPanel: 1.4
    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: 1.1
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.1
    ChimeraX-PDB: 2.7.3
    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
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.2
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 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-SelInspector: 1.0
    ChimeraX-SeqView: 2.11
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.2
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.4
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-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: 1.33.3
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3.2
    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: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.2.1
    contourpy: 1.2.0
    cxservices: 1.2.2
    cycler: 0.12.1
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 2.0.1
    filelock: 3.9.0
    fonttools: 4.47.2
    funcparserlib: 2.0.0a0
    glfw: 2.6.4
    grako: 3.16.5
    h5py: 3.10.0
    html2text: 2020.1.16
    idna: 3.6
    ihm: 0.38
    imagecodecs: 2023.9.18
    imagesize: 1.4.1
    ipykernel: 6.23.2
    ipython: 8.14.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.1.1
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.7.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.4
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.6.0
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.8
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 10.2.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 4.1.0
    prompt-toolkit: 3.0.43
    psutil: 5.9.5
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    py-cpuinfo: 9.0.0
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.16.1
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    pyopenxr: 1.0.2801
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.3.1
    PyQt6-Qt6: 6.3.2
    PyQt6-sip: 13.4.0
    PyQt6-WebEngine-commercial: 6.3.1
    PyQt6-WebEngine-Qt6: 6.3.2
    python-dateutil: 2.8.2
    pytz: 2023.3.post1
    pyzmq: 25.1.2
    qtconsole: 5.4.3
    QtPy: 2.4.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.5
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    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: 0.5.0
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.4
    traitlets: 5.9.0
    typing-extensions: 4.9.0
    tzdata: 2023.4
    urllib3: 2.1.0
    wcwidth: 0.2.13
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9

Change History (2)

comment:1 by pett, 20 months ago

Cc: Tom Goddard added
Component: UnassignedCore
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionCrash in garbage collection

comment:2 by pett, 20 months ago

Resolution: can't reproduce
Status: acceptedclosed
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