Opened 2 years ago

Closed 2 years ago

#9802 closed defect (duplicate)

Crashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0

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

Description (last modified by pett)

The following bug report has been submitted:
Platform:        macOS-13.5.2-arm64-arm-64bit
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 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 0x00000001e4a5a080 (most recent call first):
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/ui/gui.py", line 275 in event_loop
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 892 in init
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/chimerax/core/__main__.py", line 1043 in 
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 87 in _run_code
  File "/Applications/ChimeraX-1.6.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/runpy.py", line 197 in _run_module_as_main


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{
  "uptime" : 280000,
  "procRole" : "Background",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "Mac14,2",
  "coalitionID" : 885,
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    "build" : "22G91",
    "releaseType" : "User"
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  "captureTime" : "2023-09-18 15:01:46.4366 -0400",
  "incident" : "7ACA0302-99D5-4615-BD82-3B51BEC233C8",
  "pid" : 69443,
  "translated" : false,
  "cpuType" : "ARM-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2023-09-18 11:49:12.6828 -0400",
  "procStartAbsTime" : 6630084134129,
  "procExitAbsTime" : 6896217218223,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.6.1.app\/Contents\/MacOS\/ChimeraX",
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  "storeInfo" : {"deviceIdentifierForVendor":"F2A0B2FA-B61F-5734-BA89-599109DA1F98","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "04CBAFB6-075B-CE76-D44A-FD9D049AF824",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 0,
  "wakeTime" : 6,
  "sleepWakeUUID" : "B63AFAD8-8BE0-45A1-8791-F894A58981DB",
  "sip" : "enabled",
  "vmRegionInfo" : "0x18 is not in any region.  Bytes before following region: 105553518919656\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      MALLOC_NANO (reserved)   600018000000-600020000000 [128.0M] rw-\/rwx SM=NUL  ...(unallocated)",
  "exception" : {"codes":"0x0000000000000001, 0x0000000000000018","rawCodes":[1,24],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000018"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":69443},
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}
===== Log before crash start =====
Startup Messages  
---  
warnings | Unable to find icon for toolbar provider 'Dump Bead Data' in bundle
'ChimeraX-GenomeTools'  
Unable to find icon for toolbar provider 'Highlight' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Bed Models' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Bead Overlap' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Genome Distance' in bundle
'ChimeraX-GenomeTools'  
1 messages similar to the above omitted  
  

> camera ortho

> cofr centerOfView

> mousemode rightMode clip

> mousemode alt rightMode "contour level"

> mousemode alt leftMode "move picked models"

> alias cofron cofr centerofview showpivot true

> alias cofroff cofr centerofview showpivot false

> alias symclip cofr centerofview; clip near -$1 far $1 position cofr

> alias cootmode surface cap false; surface style solid; lighting flat;
> graphics silhouettes false; style stick; ~rib; color ##num_residues gold;
> color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size
> stickradius 0.07; transparency 70; cofr centerofview; clip near -10 far 10
> position cofr; color ##~num_residues cornflower blue

> alias cootmode_mesh surface cap false; surface style mesh; lighting flat;
> graphics silhouettes false; style stick; ~rib; color ##num_residues gold;
> color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size
> stickradius 0.07; cofr centerofview; clip near -10 far 10 position cofr;
> color ##~num_residues #3d60ffff; transparency 50

> alias ca_and_sidechains ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1;
> disp @P&nucleic&$1; style $1 stick; disp sidechain&$1; disp
> ~backbone&nucleic&$1; size stickradius 0.1; size pseudobondradius 0.1

> alias ca_trace ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; disp
> @P&nucleic&$1; style $1 stick; size stickradius 0.1; size pseudobondradius
> 0.1

> alias map_sphere_15 surface unzone ##~num_residues; sel; close #10000;
> marker #10000 position cofr; sel ~sel; surface zone ##~num_residues
> nearAtoms sel distance 15; close #10000

> alias map_unsphere surface unzone ##~num_residues

> alias default_mol_display ~disp; rib; rainbow chain palette RdYlBu-5;
> lighting soft

> alias hidemaps surface unzone ##~num_residues; sel; close #10000; marker
> #10000 position cofr; sel ~sel; surface zone ##~num_residues nearAtoms sel
> distance 0; close #10000

> alias showmaps surface unzone ##~num_residues

> buttonpanel Shortcuts rows 3 columns 4

> buttonpanel Shortcuts add Vol_Viewer command "tool show 'Volume Viewer'"

> buttonpanel Shortcuts add Model_Panel command "tool show Models"

> buttonpanel Shortcuts add Log command "tool show Log"

> buttonpanel Shortcuts add default_disp command default_mol_display

> buttonpanel Shortcuts add map_sphere command map_sphere_15

> buttonpanel Shortcuts add map_unsphere command map_unsphere

> buttonpanel Shortcuts add cofron command cofron

> buttonpanel Shortcuts add cofroff command cofroff

> buttonpanel Shortcuts add cootmode command cootmode

> buttonpanel Shortcuts add mark_cofr command "marker #10000 position cofr"

> buttonpanel Shortcuts add hidemaps command hidemaps

> buttonpanel Shortcuts add showmaps command showmaps

UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> /Users/patrick/Documents/Research/scs7p/ESM/ESM_modification/esm_scs_fe_hem.pdb

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

Unsupported scale factor (0.000000) detected on Display0  

QPainter::begin: Paint device returned engine == 0, type: 3  


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

Log:
Startup Messages  
---  
warnings | Unable to find icon for toolbar provider 'Dump Bead Data' in bundle
'ChimeraX-GenomeTools'  
Unable to find icon for toolbar provider 'Highlight' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Bed Models' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Bead Overlap' in bundle 'ChimeraX-
GenomeTools'  
Unable to find icon for toolbar provider 'Genome Distance' in bundle
'ChimeraX-GenomeTools'  
1 messages similar to the above omitted  
  

> camera ortho

> cofr centerOfView

> mousemode rightMode clip

> mousemode alt rightMode "contour level"

> mousemode alt leftMode "move picked models"

> alias cofron cofr centerofview showpivot true

> alias cofroff cofr centerofview showpivot false

> alias symclip cofr centerofview; clip near -$1 far $1 position cofr

> alias cootmode surface cap false; surface style solid; lighting flat;
> graphics silhouettes false; style stick; ~rib; color ##num_residues gold;
> color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size
> stickradius 0.07; transparency 70; cofr centerofview; clip near -10 far 10
> position cofr; color ##~num_residues cornflower blue

> alias cootmode_mesh surface cap false; surface style mesh; lighting flat;
> graphics silhouettes false; style stick; ~rib; color ##num_residues gold;
> color byhet ; disp; ~disp @H*; style solvent ball; size ballscale 0.1; size
> stickradius 0.07; cofr centerofview; clip near -10 far 10 position cofr;
> color ##~num_residues #3d60ffff; transparency 50

> alias ca_and_sidechains ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1;
> disp @P&nucleic&$1; style $1 stick; disp sidechain&$1; disp
> ~backbone&nucleic&$1; size stickradius 0.1; size pseudobondradius 0.1

> alias ca_trace ~rib $1; ~surf $1; ~disp $1; disp @CA&protein&$1; disp
> @P&nucleic&$1; style $1 stick; size stickradius 0.1; size pseudobondradius
> 0.1

> alias map_sphere_15 surface unzone ##~num_residues; sel; close #10000;
> marker #10000 position cofr; sel ~sel; surface zone ##~num_residues
> nearAtoms sel distance 15; close #10000

> alias map_unsphere surface unzone ##~num_residues

> alias default_mol_display ~disp; rib; rainbow chain palette RdYlBu-5;
> lighting soft

> alias hidemaps surface unzone ##~num_residues; sel; close #10000; marker
> #10000 position cofr; sel ~sel; surface zone ##~num_residues nearAtoms sel
> distance 0; close #10000

> alias showmaps surface unzone ##~num_residues

> buttonpanel Shortcuts rows 3 columns 4

> buttonpanel Shortcuts add Vol_Viewer command "tool show 'Volume Viewer'"

> buttonpanel Shortcuts add Model_Panel command "tool show Models"

> buttonpanel Shortcuts add Log command "tool show Log"

> buttonpanel Shortcuts add default_disp command default_mol_display

> buttonpanel Shortcuts add map_sphere command map_sphere_15

> buttonpanel Shortcuts add map_unsphere command map_unsphere

> buttonpanel Shortcuts add cofron command cofron

> buttonpanel Shortcuts add cofroff command cofroff

> buttonpanel Shortcuts add cootmode command cootmode

> buttonpanel Shortcuts add mark_cofr command "marker #10000 position cofr"

> buttonpanel Shortcuts add hidemaps command hidemaps

> buttonpanel Shortcuts add showmaps command showmaps

UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Volumes/KOBBY/run/open_QwikMD.pdb

Summary of feedback from opening /Volumes/KOBBY/run/open_QwikMD.pdb  
---  
warnings | Ignored bad PDB record found on line 100001  
ATOM 186a0 H1 TIP3W8491 -53.190 21.986 28.409 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100002  
ATOM 186a1 H2 TIP3W8491 -53.408 23.460 28.443 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100003  
ATOM 186a2 OH2 TIP3W8492 -62.497 24.521 38.494 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100004  
ATOM 186a3 H1 TIP3W8492 -63.232 24.695 39.067 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100005  
ATOM 186a4 H2 TIP3W8492 -62.891 24.322 37.649 1.00 0.00 WT4 H  
  
91 messages similar to the above omitted  
Duplicate atom serial number found: 18700  
Duplicate atom serial number found: 18701  
Duplicate atom serial number found: 18702  
Duplicate atom serial number found: 18703  
Duplicate atom serial number found: 18704  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100107  
ATOM 1870a H2 TIP3W8540 -0.005 38.510 51.366 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100108  
ATOM 1870b OH2 TIP3W8541 -4.828 18.645 43.391 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100109  
ATOM 1870c H1 TIP3W8541 -5.202 18.769 44.264 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100110  
ATOM 1870d H2 TIP3W8541 -5.624 18.376 42.855 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100111  
ATOM 1870e OH2 TIP3W8542 -6.564 29.510 57.415 1.00 0.00 WT4 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18710  
Duplicate atom serial number found: 18711  
Duplicate atom serial number found: 18712  
Duplicate atom serial number found: 18713  
Duplicate atom serial number found: 18714  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100123  
ATOM 1871a OH2 TIP3W8546 -7.609 30.629 52.163 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100124  
ATOM 1871b H1 TIP3W8546 -7.858 30.727 51.184 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100125  
ATOM 1871c H2 TIP3W8546 -8.174 31.322 52.538 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100126  
ATOM 1871d OH2 TIP3W8547 -13.663 29.986 54.249 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100127  
ATOM 1871e H1 TIP3W8547 -13.599 29.041 54.296 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18720  
Duplicate atom serial number found: 18721  
Duplicate atom serial number found: 18722  
Duplicate atom serial number found: 18723  
Duplicate atom serial number found: 18724  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100139  
ATOM 1872a H1 TIP3W8551 -58.347 36.125 9.087 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100140  
ATOM 1872b H2 TIP3W8551 -58.584 35.131 10.235 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100141  
ATOM 1872c OH2 TIP3W8553 -0.987 40.204 21.682 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100142  
ATOM 1872d H1 TIP3W8553 -0.678 40.169 22.615 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100143  
ATOM 1872e H2 TIP3W8553 -0.964 41.196 21.576 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18730  
Duplicate atom serial number found: 18731  
Duplicate atom serial number found: 18732  
Duplicate atom serial number found: 18733  
Duplicate atom serial number found: 18734  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100155  
ATOM 1873a H2 TIP3W8557 -10.901 26.506 49.169 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100156  
ATOM 1873b OH2 TIP3W8558 -62.077 27.095 20.490 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100157  
ATOM 1873c H1 TIP3W8558 -63.012 26.829 20.621 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100158  
ATOM 1873d H2 TIP3W8558 -61.972 27.350 19.538 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100159  
ATOM 1873e OH2 TIP3W8559 -11.844 11.973 34.827 1.00 0.00 WT4 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18740  
Duplicate atom serial number found: 18741  
Duplicate atom serial number found: 18742  
Duplicate atom serial number found: 18743  
Duplicate atom serial number found: 18744  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100171  
ATOM 1874a OH2 TIP3W8563 -2.990 38.986 33.089 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100172  
ATOM 1874b H1 TIP3W8563 -2.114 39.298 32.822 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100173  
ATOM 1874c H2 TIP3W8563 -2.969 37.958 32.986 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100174  
ATOM 1874d OH2 TIP3W8564 -25.001 28.918 48.897 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100175  
ATOM 1874e H1 TIP3W8564 -24.635 28.077 49.070 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18750  
Duplicate atom serial number found: 18751  
Duplicate atom serial number found: 18752  
Duplicate atom serial number found: 18753  
Duplicate atom serial number found: 18754  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100187  
ATOM 1875a H1 TIP3W8568 -24.624 35.170 51.929 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100188  
ATOM 1875b H2 TIP3W8568 -23.675 35.316 53.125 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100189  
ATOM 1875c OH2 TIP3W8569 -1.046 36.996 64.016 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100190  
ATOM 1875d H1 TIP3W8569 -1.092 37.985 63.901 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100191  
ATOM 1875e H2 TIP3W8569 -1.011 36.597 63.172 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18760  
Duplicate atom serial number found: 18761  
Duplicate atom serial number found: 18762  
Duplicate atom serial number found: 18763  
Duplicate atom serial number found: 18764  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100203  
ATOM 1876a H2 TIP3W8574 -60.536 28.836 20.633 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100204  
ATOM 1876b OH2 TIP3W8575 -19.441 39.296 36.193 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100205  
ATOM 1876c H1 TIP3W8575 -18.678 39.927 36.071 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100206  
ATOM 1876d H2 TIP3W8575 -19.784 39.538 37.072 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100207  
ATOM 1876e OH2 TIP3W8576 -54.047 38.158 19.327 1.00 0.00 WT4 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18770  
Duplicate atom serial number found: 18771  
Duplicate atom serial number found: 18772  
Duplicate atom serial number found: 18773  
Duplicate atom serial number found: 18774  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100219  
ATOM 1877a OH2 TIP3W8580 0.323 36.536 48.925 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100220  
ATOM 1877b H1 TIP3W8580 0.087 37.437 48.645 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100221  
ATOM 1877c H2 TIP3W8580 0.336 36.664 49.882 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100222  
ATOM 1877d OH2 TIP3W8581 -0.982 22.369 53.571 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100223  
ATOM 1877e H1 TIP3W8581 -1.750 22.880 53.318 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18780  
Duplicate atom serial number found: 18781  
Duplicate atom serial number found: 18782  
Duplicate atom serial number found: 18783  
Duplicate atom serial number found: 18784  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100235  
ATOM 1878a H1 TIP3W8585 -61.923 28.668 53.249 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100236  
ATOM 1878b H2 TIP3W8585 -62.957 27.532 52.653 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100237  
ATOM 1878c OH2 TIP3W8586 -4.613 33.406 57.058 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100238  
ATOM 1878d H1 TIP3W8586 -5.222 33.107 57.742 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100239  
ATOM 1878e H2 TIP3W8586 -3.936 33.864 57.615 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18790  
Duplicate atom serial number found: 18791  
Duplicate atom serial number found: 18792  
Duplicate atom serial number found: 18793  
Duplicate atom serial number found: 18794  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100251  
ATOM 1879a H2 TIP3W8591 -2.064 26.319 28.785 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100252  
ATOM 1879b OH2 TIP3W8592 -6.965 44.414 13.948 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100253  
ATOM 1879c H1 TIP3W8592 -7.843 44.344 13.626 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100254  
ATOM 1879d H2 TIP3W8592 -7.039 44.503 14.922 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100255  
ATOM 1879e OH2 TIP3W8593 -11.676 37.452 6.767 1.00 0.00 WT4 O  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 18800  
Duplicate atom serial number found: 18801  
Duplicate atom serial number found: 18802  
Duplicate atom serial number found: 18803  
Duplicate atom serial number found: 18804  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100363  
ATOM 1880a OH2 TIP3W8633 -6.155 37.201 13.114 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100364  
ATOM 1880b H1 TIP3W8633 -5.767 37.937 12.622 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100365  
ATOM 1880c H2 TIP3W8633 -6.433 37.633 13.912 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100366  
ATOM 1880d OH2 TIP3W8634 0.345 34.599 10.356 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100367  
ATOM 1880e H1 TIP3W8634 0.371 35.563 10.747 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18810  
Duplicate atom serial number found: 18811  
Duplicate atom serial number found: 18812  
Duplicate atom serial number found: 18813  
Duplicate atom serial number found: 18814  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100379  
ATOM 1881a H1 TIP3W8638 -6.573 30.086 20.753 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100380  
ATOM 1881b H2 TIP3W8638 -6.985 29.359 22.067 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100381  
ATOM 1881c OH2 TIP3W8639 -13.112 37.695 34.440 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100382  
ATOM 1881d H1 TIP3W8639 -13.050 38.258 35.193 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100383  
ATOM 1881e H2 TIP3W8639 -13.753 38.128 33.866 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18820  
Duplicate atom serial number found: 18821  
Duplicate atom serial number found: 18822  
Duplicate atom serial number found: 18823  
Duplicate atom serial number found: 18824  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100395  
ATOM 1882a H2 TIP3W8644 -0.674 40.531 42.661 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100396  
ATOM 1882b OH2 TIP3W8645 -63.731 31.107 32.573 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100397  
ATOM 1882c H1 TIP3W8645 -64.057 30.489 33.262 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100398  
ATOM 1882d H2 TIP3W8645 -64.034 32.015 32.743 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100399  
ATOM 1882e OH2 TIP3W8646 -5.054 39.845 34.854 1.00 0.00 WT4 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18830  
Duplicate atom serial number found: 18831  
Duplicate atom serial number found: 18832  
Duplicate atom serial number found: 18833  
Duplicate atom serial number found: 18834  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100411  
ATOM 1883a OH2 TIP3W8650 -10.164 34.160 63.725 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100412  
ATOM 1883b H1 TIP3W8650 -10.516 33.496 64.306 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100413  
ATOM 1883c H2 TIP3W8650 -10.928 34.577 63.344 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100414  
ATOM 1883d OH2 TIP3W8651 -16.617 45.384 62.346 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100415  
ATOM 1883e H1 TIP3W8651 -16.486 45.966 63.116 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18840  
Duplicate atom serial number found: 18841  
Duplicate atom serial number found: 18842  
Duplicate atom serial number found: 18843  
Duplicate atom serial number found: 18844  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100427  
ATOM 1884a H1 TIP3W8657 -9.481 55.908 15.723 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100428  
ATOM 1884b H2 TIP3W8657 -9.392 57.295 15.034 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100429  
ATOM 1884c OH2 TIP3W8658 -61.920 39.698 41.889 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100430  
ATOM 1884d H1 TIP3W8658 -62.507 39.194 41.277 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100431  
ATOM 1884e H2 TIP3W8658 -62.379 40.537 42.020 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18850  
Duplicate atom serial number found: 18851  
Duplicate atom serial number found: 18852  
Duplicate atom serial number found: 18853  
Duplicate atom serial number found: 18854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100443  
ATOM 1885a H2 TIP3W8663 -4.337 54.426 42.940 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100444  
ATOM 1885b OH2 TIP3W8664 -16.066 46.804 44.481 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100445  
ATOM 1885c H1 TIP3W8664 -16.620 47.533 44.779 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100446  
ATOM 1885d H2 TIP3W8664 -16.718 46.069 44.342 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100447  
ATOM 1885e OH2 TIP3W8665 -11.101 45.827 40.474 1.00 0.00 WT4 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18860  
Duplicate atom serial number found: 18861  
Duplicate atom serial number found: 18862  
Duplicate atom serial number found: 18863  
Duplicate atom serial number found: 18864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100459  
ATOM 1886a OH2 TIP3W8669 -11.261 29.016 60.191 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100460  
ATOM 1886b H1 TIP3W8669 -12.154 29.201 60.449 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100461  
ATOM 1886c H2 TIP3W8669 -10.923 29.904 60.097 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100462  
ATOM 1886d OH2 TIP3W8670 -3.330 44.986 48.332 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100463  
ATOM 1886e H1 TIP3W8670 -2.623 45.233 48.880 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18870  
Duplicate atom serial number found: 18871  
Duplicate atom serial number found: 18872  
Duplicate atom serial number found: 18873  
Duplicate atom serial number found: 18874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100475  
ATOM 1887a H1 TIP3W8677 -49.940 57.297 10.449 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100476  
ATOM 1887b H2 TIP3W8677 -50.012 55.984 9.632 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100477  
ATOM 1887c OH2 TIP3W8678 -17.278 50.475 21.157 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100478  
ATOM 1887d H1 TIP3W8678 -17.670 49.718 21.667 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100479  
ATOM 1887e H2 TIP3W8678 -18.003 51.129 21.026 1.00 0.00 WT4 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 18880  
Duplicate atom serial number found: 18881  
Duplicate atom serial number found: 18882  
Duplicate atom serial number found: 18883  
Duplicate atom serial number found: 18884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 100491  
ATOM 1888a H2 TIP3W8682 -0.978 43.395 22.285 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100492  
ATOM 1888b OH2 TIP3W8683 -63.593 37.187 27.273 1.00 0.00 WT4 O  
  
Ignored bad PDB record found on line 100493  
ATOM 1888c H1 TIP3W8683 -63.854 37.234 26.393 1.00 0.00 WT4 H  
  
Ignored bad PDB record found on line 100494  
ATOM 1888d H2 TIP3W8683 -62.893 37.820 27.260 1.00 0.00 WT4 H  
  
[lots of this deleted]
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29850  
Duplicate atom serial number found: 29851  
Duplicate atom serial number found: 29852  
Duplicate atom serial number found: 29853  
Duplicate atom serial number found: 29854  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170075  
ATOM 2985a H1 TIP3W1394 14.956 9.508 34.269 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170076  
ATOM 2985b H2 TIP3W1394 15.463 8.014 34.644 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170077  
ATOM 2985c OH2 TIP3W1395 5.064 9.805 46.281 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170078  
ATOM 2985d H1 TIP3W1395 4.427 9.308 45.718 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170079  
ATOM 2985e H2 TIP3W1395 4.649 9.723 47.155 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29860  
Duplicate atom serial number found: 29861  
Duplicate atom serial number found: 29862  
Duplicate atom serial number found: 29863  
Duplicate atom serial number found: 29864  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170091  
ATOM 2986a H2 TIP3W1400 8.944 14.746 52.803 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170092  
ATOM 2986b OH2 TIP3W1401 2.856 8.035 45.500 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170093  
ATOM 2986c H1 TIP3W1401 3.213 7.287 45.005 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170094  
ATOM 2986d H2 TIP3W1401 2.377 7.569 46.208 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170095  
ATOM 2986e OH2 TIP3W1402 11.737 23.771 55.207 1.00 0.00 WT8 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29870  
Duplicate atom serial number found: 29871  
Duplicate atom serial number found: 29872  
Duplicate atom serial number found: 29873  
Duplicate atom serial number found: 29874  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170107  
ATOM 2987a OH2 TIP3W1408 5.618 26.981 7.090 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170108  
ATOM 2987b H1 TIP3W1408 6.343 26.603 7.524 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170109  
ATOM 2987c H2 TIP3W1408 4.957 26.333 7.128 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170110  
ATOM 2987d OH2 TIP3W1409 3.927 7.726 61.567 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170111  
ATOM 2987e H1 TIP3W1409 4.578 7.232 62.158 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29880  
Duplicate atom serial number found: 29881  
Duplicate atom serial number found: 29882  
Duplicate atom serial number found: 29883  
Duplicate atom serial number found: 29884  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170123  
ATOM 2988a H1 TIP3W1418 12.060 4.237 25.345 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170124  
ATOM 2988b H2 TIP3W1418 12.875 3.168 26.016 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170125  
ATOM 2988c OH2 TIP3W1419 14.901 22.981 45.638 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170126  
ATOM 2988d H1 TIP3W1419 15.620 23.474 45.163 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170127  
ATOM 2988e H2 TIP3W1419 14.758 22.124 45.223 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29890  
Duplicate atom serial number found: 29891  
Duplicate atom serial number found: 29892  
Duplicate atom serial number found: 29893  
Duplicate atom serial number found: 29894  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170139  
ATOM 2989a H2 TIP3W1423 55.252 10.981 57.099 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170140  
ATOM 2989b OH2 TIP3W1424 18.671 10.674 53.631 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170141  
ATOM 2989c H1 TIP3W1424 18.959 11.088 52.831 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170142  
ATOM 2989d H2 TIP3W1424 18.442 9.762 53.335 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170143  
ATOM 2989e OH2 TIP3W1426 12.123 16.423 62.742 1.00 0.00 WT8 O  
  
97 messages similar to the above omitted  
Duplicate atom serial number found: 29900  
Duplicate atom serial number found: 29901  
Duplicate atom serial number found: 29902  
Duplicate atom serial number found: 29903  
Duplicate atom serial number found: 29904  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170251  
ATOM 2990a OH2 TIP3W1481 21.557 25.861 38.954 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170252  
ATOM 2990b H1 TIP3W1481 21.097 25.226 38.334 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170253  
ATOM 2990c H2 TIP3W1481 20.781 26.104 39.582 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170254  
ATOM 2990d OH2 TIP3W1482 59.199 19.586 30.134 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170255  
ATOM 2990e H1 TIP3W1482 60.111 19.622 30.056 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29910  
Duplicate atom serial number found: 29911  
Duplicate atom serial number found: 29912  
Duplicate atom serial number found: 29913  
Duplicate atom serial number found: 29914  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170267  
ATOM 2991a H1 TIP3W1486 2.826 26.726 56.387 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170268  
ATOM 2991b H2 TIP3W1486 3.180 26.679 54.867 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170269  
ATOM 2991c OH2 TIP3W1488 12.589 33.713 56.495 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170270  
ATOM 2991d H1 TIP3W1488 13.433 33.166 56.502 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170271  
ATOM 2991e H2 TIP3W1488 11.988 33.155 56.980 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29920  
Duplicate atom serial number found: 29921  
Duplicate atom serial number found: 29922  
Duplicate atom serial number found: 29923  
Duplicate atom serial number found: 29924  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170283  
ATOM 2992a H2 TIP3W1495 29.142 24.205 59.144 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170284  
ATOM 2992b OH2 TIP3W1498 11.792 54.644 29.195 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170285  
ATOM 2992c H1 TIP3W1498 12.173 54.774 28.277 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170286  
ATOM 2992d H2 TIP3W1498 10.862 54.390 28.965 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170287  
ATOM 2992e OH2 TIP3W1499 13.086 28.075 25.963 1.00 0.00 WT8 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29930  
Duplicate atom serial number found: 29931  
Duplicate atom serial number found: 29932  
Duplicate atom serial number found: 29933  
Duplicate atom serial number found: 29934  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170299  
ATOM 2993a OH2 TIP3W1504 18.482 26.620 35.781 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170300  
ATOM 2993b H1 TIP3W1504 17.789 26.383 35.173 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170301  
ATOM 2993c H2 TIP3W1504 18.081 27.195 36.441 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170302  
ATOM 2993d OH2 TIP3W1505 9.021 26.517 53.298 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170303  
ATOM 2993e H1 TIP3W1505 9.435 25.670 53.032 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29940  
Duplicate atom serial number found: 29941  
Duplicate atom serial number found: 29942  
Duplicate atom serial number found: 29943  
Duplicate atom serial number found: 29944  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170315  
ATOM 2994a H1 TIP3W1512 12.343 22.234 16.800 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170316  
ATOM 2994b H2 TIP3W1512 10.924 22.267 16.798 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170317  
ATOM 2994c OH2 TIP3W1513 13.002 29.990 60.977 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170318  
ATOM 2994d H1 TIP3W1513 12.639 30.938 60.838 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170319  
ATOM 2994e H2 TIP3W1513 12.251 29.395 60.716 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29950  
Duplicate atom serial number found: 29951  
Duplicate atom serial number found: 29952  
Duplicate atom serial number found: 29953  
Duplicate atom serial number found: 29954  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170331  
ATOM 2995a H2 TIP3W1520 11.247 30.518 41.485 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170332  
ATOM 2995b OH2 TIP3W1522 6.601 32.351 38.959 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170333  
ATOM 2995c H1 TIP3W1522 7.366 32.334 38.299 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170334  
ATOM 2995d H2 TIP3W1522 5.994 31.687 38.556 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170335  
ATOM 2995e OH2 TIP3W1523 18.371 30.938 35.295 1.00 0.00 WT8 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29960  
Duplicate atom serial number found: 29961  
Duplicate atom serial number found: 29962  
Duplicate atom serial number found: 29963  
Duplicate atom serial number found: 29964  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170347  
ATOM 2996a OH2 TIP3W1527 2.342 34.803 48.060 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170348  
ATOM 2996b H1 TIP3W1527 1.686 34.120 48.072 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170349  
ATOM 2996c H2 TIP3W1527 1.872 35.603 48.416 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170350  
ATOM 2996d OH2 TIP3W1528 24.530 46.248 52.685 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170351  
ATOM 2996e H1 TIP3W1528 25.235 46.054 53.271 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29970  
Duplicate atom serial number found: 29971  
Duplicate atom serial number found: 29972  
Duplicate atom serial number found: 29973  
Duplicate atom serial number found: 29974  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170363  
ATOM 2997a H1 TIP3W1532 13.942 23.831 21.809 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170364  
ATOM 2997b H2 TIP3W1532 15.356 24.287 21.795 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170365  
ATOM 2997c OH2 TIP3W1533 7.665 18.057 61.689 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170366  
ATOM 2997d H1 TIP3W1533 7.101 17.740 60.973 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170367  
ATOM 2997e H2 TIP3W1533 8.583 18.017 61.310 1.00 0.00 WT8 H  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29980  
Duplicate atom serial number found: 29981  
Duplicate atom serial number found: 29982  
Duplicate atom serial number found: 29983  
Duplicate atom serial number found: 29984  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170379  
ATOM 2998a H2 TIP3W1537 17.003 36.573 17.765 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170380  
ATOM 2998b OH2 TIP3W1538 16.330 33.816 19.141 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170381  
ATOM 2998c H1 TIP3W1538 16.406 34.443 18.380 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170382  
ATOM 2998d H2 TIP3W1538 17.185 33.913 19.578 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170383  
ATOM 2998e OH2 TIP3W1540 19.061 35.691 23.493 1.00 0.00 WT8 O  
  
1 messages similar to the above omitted  
Duplicate atom serial number found: 29990  
Duplicate atom serial number found: 29991  
Duplicate atom serial number found: 29992  
Duplicate atom serial number found: 29993  
Duplicate atom serial number found: 29994  
5 messages similar to the above omitted  
Ignored bad PDB record found on line 170395  
ATOM 2999a OH2 TIP3W1545 18.044 33.672 39.263 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170396  
ATOM 2999b H1 TIP3W1545 17.680 33.729 40.207 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170397  
ATOM 2999c H2 TIP3W1545 17.709 34.576 38.902 1.00 0.00 WT8 H  
  
Ignored bad PDB record found on line 170398  
ATOM 2999d OH2 TIP3W1546 2.996 36.021 35.397 1.00 0.00 WT8 O  
  
Ignored bad PDB record found on line 170399  
ATOM 2999e H1 TIP3W1546 2.508 35.246 35.096 1.00 0.00 WT8 H  
  
17324 messages similar to the above omitted  
  
Chain information for open_QwikMD.pdb #1  
---  
Chain | Description  
A | No description available  
  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac14,2
      Model Number: Z160000AKLL/A
      Chip: Apple M2
      Total Number of Cores: 8 (4 performance and 4 efficiency)
      Memory: 8 GB
      System Firmware Version: 8422.141.2
      OS Loader Version: 8422.141.2

Software:

    System Software Overview:

      System Version: macOS 13.5.2 (22G91)
      Kernel Version: Darwin 22.6.0
      Time since boot: 5 days, 20 hours, 46 minutes

Graphics/Displays:

    Apple M2:

      Chipset Model: Apple M2
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        DELL U2417H:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: Supported


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    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: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.1
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-GenomeTools: 0.9
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-OpenCommands: 1.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBImages: 1.1
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-QScore: 1.0
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    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: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.2.22
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    MolecularDynamicsViewer: 1.4
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    Send2Trash: 1.8.2
    SEQCROW: 1.7.3
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    zipp: 3.15.0

Change History (2)

comment:1 by pett, 2 years ago

Cc: Tom Goddard added
Component: UnassignedWindow Toolkit
Description: modified (diff)
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionCrashed in QTabBar::paintEvent(), QPainter::begin: Paint device returned engine == 0

comment:2 by pett, 2 years ago

Resolution: duplicate
Status: acceptedclosed
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