Opened 2 years ago

Closed 2 years ago

#9839 closed defect (can't reproduce)

Crash in garbage collection during new object allocation

Reported by: chimerax-bug-report@… Owned by: Eric Pettersen
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-13.4-arm64-arm-64bit
ChimeraX Version: 1.7.dev202309190305 (2023-09-19 03:05:58 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x00000002c21cb000 (most recent call first):
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 324 in wait
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 622 in wait
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1392 in run
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap

Current thread 0x00000001f8b01e00 (most recent call first):
  Garbage-collecting
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 150 in 
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molarray.py", line 150 in __iter__
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 945 in _atomspec_attr_filter
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 992 in _atomspec_filter_atom
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 910 in atomspec_filter
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 568 in _filter_parts
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 550 in find_selected_parts
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 561 in find_selected_parts
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 561 in find_selected_parts
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 626 in _add_model_parts
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 606 in find_matches
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 444 in find_matches
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 993 in find_matches
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 990 in evaluate
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 1080 in evaluate
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/atomspec.py", line 1100 in evaluate
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 1298 in parse
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 890 in parse
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2488 in _parse_arg
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2629 in _process_positional_arguments
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2853 in run
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py", line 38 in run
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/manager.py", line 88 in execute
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/builtin.py", line 49 in run_preset
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/__init__.py", line 44 in run_provider
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/toolshed/__init__.py", line 1291 in run_provider
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/toolshed/info.py", line 386 in run_provider
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/manager.py", line 60 in cb
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/cmd.py", line 71 in run_preset
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/preset_mgr/cmd.py", line 50 in preset_cmd
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/cli.py", line 2897 in run
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/commands/run.py", line 38 in run
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 1215 in 
  File "/Applications/ChimeraX_Daily.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_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 912 in init
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1063 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, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, chimerax.pdb_lib._load_libs, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.dssp._dssp (total: 51)


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{
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  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro18,1",
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  "captureTime" : "2023-09-25 16:40:47.5470 +0200",
  "incident" : "DAA0DAB0-7D47-4A85-9473-A95636855E62",
  "pid" : 60545,
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  "cpuType" : "ARM-64",
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  "procLaunch" : "2023-09-25 10:29:11.8711 +0200",
  "procStartAbsTime" : 20089083575221,
  "procExitAbsTime" : 20264120651735,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX_Daily.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.7.0","CFBundleVersion":"1.7.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
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  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "FC39E221-EBB7-EDF7-6BF5-DC5BCE45F197",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 0,
  "wakeTime" : 602,
  "sleepWakeUUID" : "ECF06449-2EFA-4265-BA7F-F9C6F64EA775",
  "sip" : "enabled",
  "vmRegionInfo" : "0xa9 is not in any region.  Bytes before following region: 105553518919511\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)",
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    "path" : "\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation",
    "name" : "CoreFoundation",
    "CFBundleVersion" : "1977"
  },
  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 7100932096,
    "CFBundleShortVersionString" : "2.1.1",
    "CFBundleIdentifier" : "com.apple.HIToolbox",
    "size" : 3358720,
    "uuid" : "d800278b-4e6c-3032-b56f-027a938a51d6",
    "path" : "\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox",
    "name" : "HIToolbox"
  },
  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 6993776640,
    "CFBundleShortVersionString" : "6.9",
    "CFBundleIdentifier" : "com.apple.AppKit",
    "size" : 15790080,
    "uuid" : "041c7d21-21cc-3eea-ae53-d39f5ca6a24e",
    "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit",
    "name" : "AppKit",
    "CFBundleVersion" : "2299.60.124"
  },
  {
    "source" : "P",
    "arch" : "arm64e",
    "base" : 6937010176,
    "size" : 582996,
    "uuid" : "bd993f39-c902-37d6-8bd8-6d827c7f121e",
    "path" : "\/usr\/lib\/dyld",
    "name" : "dyld"
  },
  {
    "size" : 0,
    "source" : "A",
    "base" : 0,
    "uuid" : "00000000-0000-0000-0000-000000000000"
  }
],
  "sharedCache" : {
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  "size" : 3551805440,
  "uuid" : "7d9faa84-5c6b-3ef4-9379-faba64346673"
},
  "vmSummary" : "ReadOnly portion of Libraries: Total=1.6G resident=0K(0%) swapped_out_or_unallocated=1.6G(100%)\nWritable regions: Total=2.8G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=2.8G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework              1664K       13 \nActivity Tracing                   256K        1 \nCG backing stores                 4032K        4 \nCG image                          2352K       49 \nColorSync                          592K       30 \nCoreAnimation                     6208K       20 \nCoreGraphics                        96K        6 \nCoreUI image data                 2992K       23 \nFoundation                          80K        2 \nKernel Alloc Once                   32K        1 \nMALLOC                             1.1G      290 \nMALLOC guard page                  192K        9 \nMALLOC_MEDIUM (reserved)         904.0M       10         reserved VM address space (unallocated)\nMALLOC_NANO (reserved)           128.0M        1         reserved VM address space (unallocated)\nMach message                        64K        4 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                        624K       39 \nStack                            178.9M       40 \nStack Guard                       56.0M        1 \nVM_ALLOCATE                      253.4M      211 \nVM_ALLOCATE (reserved)           224.0M        4         reserved VM address space (unallocated)\n__AUTH                            1843K      369 \n__AUTH_CONST                      28.8M      601 \n__CTF                               824        1 \n__DATA                            21.0M      738 \n__DATA_CONST                      38.5M      747 \n__DATA_DIRTY                      1973K      229 \n__FONT_DATA                        2352        1 \n__GLSLBUILTINS                    5174K        1 \n__INFO_FILTER                         8        1 \n__LINKEDIT                       831.1M      144 \n__OBJC_RO                         66.3M        1 \n__OBJC_RW                         2011K        1 \n__TEXT                           833.3M      766 \ndyld private memory                432K        4 \nmapped file                      532.7M       81 \nshared memory                     3184K       25 \n===========                     =======  ======= \nTOTAL                              5.1G     4472 \nTOTAL, minus reserved VM space     3.9G     4472 \n",
  "legacyInfo" : {
  "threadTriggered" : {
    "name" : "CrBrowserMain",
    "queue" : "com.apple.main-thread"
  }
},
  "logWritingSignature" : "cd89f35198f4feed87ecb9f90a3d43bd114604d2",
  "trialInfo" : {
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      "factorPackIds" : {

      },
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  "experiments" : [
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      "deploymentId" : 400000010
    },
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      "experimentId" : "64406ba83deb637ac8a04419",
      "deploymentId" : 900000017
    }
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}
}
===== Log before crash start =====
> camera ortho

> cofr centerOfView

> volume defaultvalues limitVoxelCount false voxelLimitForPlane
> 1000000000000000 voxelLimitForOpen 1000000000000000 saveSettings true

Saved volume settings  

> mousemode rightMode clip

> mousemode alt rightMode "contour level"

> mousemode alt leftMode "translate selected models"

> mousemode shift leftMode "rotate selected 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

> alias caps_off surface cap false

> alias caps_on surface cap true

> alias selbetween ks ri

> alias helix setattr $1 res is_helix true

> alias strand setattr $1 res is_strand true

> alias coil setattr $1 res is_strand false; setattr $1 res is_helix false

> 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: 1.7.dev202309190305 (2023-09-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/alexandre/Documents/Novalix/TGR5-Krios-
> Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb

Summary of feedback from opening
/Users/alexandre/Documents/Novalix/TGR5-Krios-
Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 24 24 PHE N
52 ASN N 54 1 3  
Start residue of secondary structure not found: HELIX 25 25 GLY N 85 VAL N 87
1 3  
Start residue of secondary structure not found: HELIX 26 26 ASN N 97 LYS N 99
1 3  
Start residue of secondary structure not found: HELIX 27 27 PRO N 111 ASP N
113 1 3  
Start residue of secondary structure not found: SHEET 35 3535 GLN N 26 SER N
30 0  
8 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (45 )  
Cannot find LINK/SSBOND residue CYS (122 )  
  
Chain information for TGR5-WithFlexDomaine-210623_refined-mod.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
N | No description available  
R | No description available  
  

> windowsize 800 800

> set bgColor white

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 8939 atom styles  

> hide atoms

> show cartoons

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> dssp

> select /A:328

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

> select up

172 atoms, 175 bonds, 20 residues, 1 model selected  

> select up

1092 atoms, 1118 bonds, 131 residues, 1 model selected  

> color #1/A:38-54,39-51,269-275,271-275,276-281 #FF0000

> color #1/A:101-108,168-176,229-239,233-239,238-251,240-245,345-352 #ED7D31

> slect /A

Unknown command: slect /A  

> select /A

2756 atoms, 2812 bonds, 3 pseudobonds, 337 residues, 2 models selected  

> select /A:11

5 atoms, 4 bonds, 1 residue, 1 model selected  

> select /A:12

5 atoms, 4 bonds, 1 residue, 1 model selected  

> color #1/A:68-79,181-190 #FFC000

> color #1/G:29-37 FFC000

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

> color #1/G:29-37 #FFC000

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:358-370 #ED7D31

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:19-25,202-216,358-372 #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> color #1/A:11-36,19-30,191-197,252-258 #FFC000

> color #1/G: #FFC000

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

> color #1/B:114-121 #FFC000

> color #1/N:109-125 #FF0000

> color #1/A:19-25,202-216,358-372 #ED7D31

> color #1/N:96-106,95-107,107-115,115-125 #ED7D31

> color #1/B:114-121 #FFC000

> color #1/N:22-34,51-65,109-115,109-134 #FFC000

> color #1/A:1-10 #00B050

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color #1/A:1-10,159-160,319-321,340-344 #00B050

> select /B

2603 atoms, 2650 bonds, 340 residues, 1 model selected  

> ui tool show "Show Sequence Viewer"

> sequence chain /B

Alignment identifier is 1/B  

> close session

> open /Users/alexandre/Documents/Novalix/TGR5-Krios-
> Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb

Summary of feedback from opening
/Users/alexandre/Documents/Novalix/TGR5-Krios-
Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 18 18 SER B
12 ALA B 34 1 23  
Start residue of secondary structure not found: HELIX 19 19 LEU B 40 GLN B 42
1 3  
End residue of secondary structure not found: HELIX 20 20 ILE B 43 ASN B 45 1
3  
Start residue of secondary structure not found: HELIX 21 21 THR B 138 GLU B
140 1 3  
Start residue of secondary structure not found: HELIX 24 24 PHE N 52 ASN N 54
1 3  
Start residue of secondary structure not found: HELIX 25 25 GLY N 85 VAL N 87
1 3  
Start residue of secondary structure not found: HELIX 26 26 ASN N 97 LYS N 99
1 3  
1 messages similar to the above omitted  
Start residue of secondary structure not found: SHEET 7 7 7 ARG B 56 ARG B 62
0  
Start residue of secondary structure not found: SHEET 8 8 8 ILE B 68 TRP B 73
0  
Start residue of secondary structure not found: SHEET 10 1010 LYS B 88 ASP B
93 0  
Start residue of secondary structure not found: SHEET 11 1111 ASN B 98 PRO B
104 0  
Start residue of secondary structure not found: SHEET 12 1212 VAL B 110 TYR B
115 0  
18 messages similar to the above omitted  
End residue of secondary structure not found: SHEET 31 3131 ARG B 314 ALA B
319 0  
Start residue of secondary structure not found: SHEET 32 3232 VAL B 325 VAL B
330 0  
Start residue of secondary structure not found: SHEET 33 3333 VAL B 337 SER B
341 0  
Start residue of secondary structure not found: SHEET 34 3434 PHE B 345 ASN B
350 0  
Start residue of secondary structure not found: SHEET 35 3535 GLN N 26 SER N
30 0  
Start residue of secondary structure not found: SHEET 36 3636 LEU N 41 SER N
48 0  
7 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (45 )  
Cannot find LINK/SSBOND residue CYS (122 )  
  
Chain information for TGR5-WithFlexDomaine-210623_refined-mod.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
N | No description available  
R | No description available  
  

> windowsize 800 800

> set bgColor white

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 8939 atom styles  

> hide atoms

> show cartoons

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color #1/A:1-10,159-160,319-321,340-344 #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color #1/A:358-370 #FF0000

> color #1/N:109-125 #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:19-25,202-216,358-372 #ED7D31

> color #1/N:96-106,95-107,107-115,115-125 #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> color #1/A:11-36,19-30,191-197,252-258 #FFC000

> color #1/B:114-121 #FFC000

> color #1/N:22-34,51-65,109-115,109-134 #FFC000

> dssp

> color #1/B:114-121 #FFC000

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color #1/A:358-370 #FF0000

> color #1/N:109-125 #FF0000

> color #1/A:1-10,159-160,319-321,340-344 #00B050

> color #1/B:1-4,169-172,253-255 #00B050

> color #1/G:1-2,40, #00B050

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

> color #1/G:1-2,40 #00B050

> ui tool show "Show Sequence Viewer"

> sequence chain /N

Alignment identifier is 1/N  

> color #1/N:66-67 #00B050

> open /Users/alexandre/Documents/Novalix/TGR5-Krios-
> Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb

Summary of feedback from opening
/Users/alexandre/Documents/Novalix/TGR5-Krios-
Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 18 18 SER B
12 ALA B 34 1 23  
Start residue of secondary structure not found: HELIX 19 19 LEU B 40 GLN B 42
1 3  
End residue of secondary structure not found: HELIX 20 20 ILE B 43 ASN B 45 1
3  
Start residue of secondary structure not found: HELIX 21 21 THR B 138 GLU B
140 1 3  
Start residue of secondary structure not found: HELIX 24 24 PHE N 52 ASN N 54
1 3  
Start residue of secondary structure not found: HELIX 25 25 GLY N 85 VAL N 87
1 3  
Start residue of secondary structure not found: HELIX 26 26 ASN N 97 LYS N 99
1 3  
1 messages similar to the above omitted  
Start residue of secondary structure not found: SHEET 7 7 7 ARG B 56 ARG B 62
0  
Start residue of secondary structure not found: SHEET 8 8 8 ILE B 68 TRP B 73
0  
Start residue of secondary structure not found: SHEET 10 1010 LYS B 88 ASP B
93 0  
Start residue of secondary structure not found: SHEET 11 1111 ASN B 98 PRO B
104 0  
Start residue of secondary structure not found: SHEET 12 1212 VAL B 110 TYR B
115 0  
18 messages similar to the above omitted  
End residue of secondary structure not found: SHEET 31 3131 ARG B 314 ALA B
319 0  
Start residue of secondary structure not found: SHEET 32 3232 VAL B 325 VAL B
330 0  
Start residue of secondary structure not found: SHEET 33 3333 VAL B 337 SER B
341 0  
Start residue of secondary structure not found: SHEET 34 3434 PHE B 345 ASN B
350 0  
Start residue of secondary structure not found: SHEET 35 3535 GLN N 26 SER N
30 0  
Start residue of secondary structure not found: SHEET 36 3636 LEU N 41 SER N
48 0  
7 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (45 )  
Cannot find LINK/SSBOND residue CYS (122 )  
  
Chain information for TGR5-WithFlexDomaine-210623_refined-mod.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
N | No description available  
R | No description available  
  

> windowsize 800 800

> set bgColor white

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 17878 atom styles  

> hide atoms

> show cartoons

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color #1/A:1-10,159-160,319-321,340-344 #00B050

> color #1/B:1-4,169-172,253-255 #00B050

> color #1/G:1-2,40, #00B050

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

> color #1/N:66-67 #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color #1/A:358-370 #FF0000

> color #1/N:109-125 #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:19-25,202-216,358-372 #ED7D31

> color #1/N:96-106,95-107,107-115,115-125 #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> color #1/A:11-36,19-30,191-197,252-258 #FFC000

> color #1/B:114-121 #FFC000

> color #1/N:22-34,51-65,109-115,109-134 #FFC000

> close session

> open /Users/alexandre/Documents/Novalix/TGR5-Krios-
> Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb

Summary of feedback from opening
/Users/alexandre/Documents/Novalix/TGR5-Krios-
Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 18 18 SER B
12 ALA B 34 1 23  
Start residue of secondary structure not found: HELIX 19 19 LEU B 40 GLN B 42
1 3  
End residue of secondary structure not found: HELIX 20 20 ILE B 43 ASN B 45 1
3  
Start residue of secondary structure not found: HELIX 21 21 THR B 138 GLU B
140 1 3  
Start residue of secondary structure not found: HELIX 24 24 PHE N 52 ASN N 54
1 3  
Start residue of secondary structure not found: HELIX 25 25 GLY N 85 VAL N 87
1 3  
Start residue of secondary structure not found: HELIX 26 26 ASN N 97 LYS N 99
1 3  
1 messages similar to the above omitted  
Start residue of secondary structure not found: SHEET 7 7 7 ARG B 56 ARG B 62
0  
Start residue of secondary structure not found: SHEET 8 8 8 ILE B 68 TRP B 73
0  
Start residue of secondary structure not found: SHEET 10 1010 LYS B 88 ASP B
93 0  
Start residue of secondary structure not found: SHEET 11 1111 ASN B 98 PRO B
104 0  
Start residue of secondary structure not found: SHEET 12 1212 VAL B 110 TYR B
115 0  
18 messages similar to the above omitted  
End residue of secondary structure not found: SHEET 31 3131 ARG B 314 ALA B
319 0  
Start residue of secondary structure not found: SHEET 32 3232 VAL B 325 VAL B
330 0  
Start residue of secondary structure not found: SHEET 33 3333 VAL B 337 SER B
341 0  
Start residue of secondary structure not found: SHEET 34 3434 PHE B 345 ASN B
350 0  
Start residue of secondary structure not found: SHEET 35 3535 GLN N 26 SER N
30 0  
Start residue of secondary structure not found: SHEET 36 3636 LEU N 41 SER N
48 0  
7 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (45 )  
Cannot find LINK/SSBOND residue CYS (122 )  
  
Chain information for TGR5-WithFlexDomaine-210623_refined-mod.pdb #1  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
N | No description available  
R | No description available  
  

> windowsize 800 800

> set bgColor white

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 8939 atom styles  

> hide atoms

> show cartoons

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color #1/A:1-10,159-160,319-321,340-344 #00B050

> color #1/B:1-4,169-172,253-255 #00B050

> color #1/G:1-2,40, #00B050

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

> color #1/N:66-67 #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color #1/A:358-370 #FF0000

> color #1/N:109-125 #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:19-25,202-216,358-372 #ED7D31

> color #1/N:96-106,95-107,107-115,115-125 #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> color #1/A:11-36,19-30,191-197,252-258 #FFC000

> color #1/B:114-121 #FFC000

> color #1/N:22-34,51-65,109-115,109-134 #FFC000

> dssp

> color #1/A:1-10,159-160,319-321,340-344,372-387 #00B050

> select /B

2603 atoms, 2650 bonds, 340 residues, 1 model selected  

> select /B:340

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

> select /N:134

Nothing selected  

> show surfaces

> color #1/R #177792 surfaces

> color #1/A #c0cc0e surfaces

> color #1/N #02abd1 surfaces

> color #1/B #79ae2b surfaces

> color #1/G #ebdf00 surfaces

> transparency #1 85 surfaces

> transparency #1 90 surfaces

> graphics silhouettes false

> graphics silhouettes true

> lighting flat

> color #1/R blue surfaces

> color #1/A Crim s

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

> color #1/A crimson surfaces

> color #1/N plum surfaces

> color #1/G violet surfaces

> color #1/G purple surfaces

> color #1/B brown surfaces

> color #1/B sadlebrown s

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

> color #1/B sadle s

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

> color #1/B sandybrown surfaces

> transparency #1 90 surfaces

> transparency #1 95 surfaces

> view matrix camera
> -0.30054,0.20526,0.93142,199.65,-0.95274,-0.10985,-0.28321,92.179,0.044186,-0.97252,0.22857,128.79

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> lighting full

> lighting soft

> lighting simple

> windowsize 800 800

> set bgColor white

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 8939 atom styles  

> hide atoms

> show cartoons

> color #1 #E7E6E6

> graphics silhouettes true

> color
> #1/R:41-57,75-86,97-99,106-111,128-130,138-141,199-214,233-235,246-249,287-302
> #00B050

> color #1/A:1-10,159-160,319-321,340-344,372-387 #00B050

> color #1/B:1-4,169-172,253-255 #00B050

> color #1/G:1-2,40, #00B050

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

> color #1/N:66-67 #00B050

> color
> #1/R:266-286,277-286,267-286,269-286,237-245,266-273,274-286,272-286,224-231,66-74
> #FF0000

> color #1/A:358-370 #FF0000

> color #1/N:109-125 #FF0000

> color
> #1/R:88-96,87-96,69-74,66-71,88-94,190-198,89-96,159-167,225-232,188-198,155-156,224-232,156-166,64-71,63-71,156-167,64-74,
> 35-40,184-189,155-167,168-173,168-174,112-125,218-223,112-127,175-183,225-231
> #ED7D31

> color #1/A:19-25,202-216,358-372 #ED7D31

> color #1/N:96-106,95-107,107-115,115-125 #ED7D31

> color
> #1/R:170-174,215-223,176-184,172-183,176-183,170-175,59-68,142-154,280-286,100-104,131-137,142-155,113-125,172-182,237-242,249-262,114-127
> #FFC000

> color #1/A:11-36,19-30,191-197,252-258 #FFC000

> color #1/B:114-121 #FFC000

> color #1/N:22-34,51-65,109-115,109-134 #FFC000

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-1.1.png
> width 1600 supersample 3 transparentBackground true

> view matrix camera
> -0.30054,0.20526,0.93142,199.65,-0.95274,-0.10985,-0.28321,92.179,0.044186,-0.97252,0.22857,128.79

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-2.1.png
> width 1600 supersample 3 transparentBackground true

> hide surfaces

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-1.2.png
> width 1600 supersample 3 transparentBackground true

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-1.3.png
> width 1600 supersample 3 transparentBackground true

> view matrix camera
> -0.80318,0.34259,-0.48736,-15.845,0.50974,-0.028167,-0.85987,-104.25,-0.30831,-0.93906,-0.15201,73.245

> style stick

Changed 8939 atom styles  

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-1.3.png
> width 1600 supersample 3 transparentBackground true

> turn y -1 90

> save /Users/alexandre/Documents/Novalix/TGR5-Krios-Mai/Figures/Image-1.3.png
> width 1600 supersample 3 transparentBackground true

> show atoms

> hide cartoons

> hide atoms

> open /Users/alexandre/Documents/Novalix/TGR5-Krios-
> Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb

Summary of feedback from opening
/Users/alexandre/Documents/Novalix/TGR5-Krios-
Mai/pdb/TGR5-WithFlexDomaine-210623_refined-mod.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 18 18 SER B
12 ALA B 34 1 23  
Start residue of secondary structure not found: HELIX 19 19 LEU B 40 GLN B 42
1 3  
End residue of secondary structure not found: HELIX 20 20 ILE B 43 ASN B 45 1
3  
Start residue of secondary structure not found: HELIX 21 21 THR B 138 GLU B
140 1 3  
Start residue of secondary structure not found: HELIX 24 24 PHE N 52 ASN N 54
1 3  
Start residue of secondary structure not found: HELIX 25 25 GLY N 85 VAL N 87
1 3  
Start residue of secondary structure not found: HELIX 26 26 ASN N 97 LYS N 99
1 3  
1 messages similar to the above omitted  
Start residue of secondary structure not found: SHEET 7 7 7 ARG B 56 ARG B 62
0  
Start residue of secondary structure not found: SHEET 8 8 8 ILE B 68 TRP B 73
0  
Start residue of secondary structure not found: SHEET 10 1010 LYS B 88 ASP B
93 0  
Start residue of secondary structure not found: SHEET 11 1111 ASN B 98 PRO B
104 0  
Start residue of secondary structure not found: SHEET 12 1212 VAL B 110 TYR B
115 0  
18 messages similar to the above omitted  
End residue of secondary structure not found: SHEET 31 3131 ARG B 314 ALA B
319 0  
Start residue of secondary structure not found: SHEET 32 3232 VAL B 325 VAL B
330 0  
Start residue of secondary structure not found: SHEET 33 3333 VAL B 337 SER B
341 0  
Start residue of secondary structure not found: SHEET 34 3434 PHE B 345 ASN B
350 0  
Start residue of secondary structure not found: SHEET 35 3535 GLN N 26 SER N
30 0  
Start residue of secondary structure not found: SHEET 36 3636 LEU N 41 SER N
48 0  
7 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (45 )  
Cannot find LINK/SSBOND residue CYS (122 )  
  
Chain information for TGR5-WithFlexDomaine-210623_refined-mod.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
G | No description available  
N | No description available  
R | No description available  
  

> hide atoms

> select add #2

8939 atoms, 9136 bonds, 3 pseudobonds, 1140 residues, 2 models selected  

> preset cartoons/nucleotides licorice/ovals

Using preset: Cartoons/Nucleotides / Licorice/Ovals  


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

Log:
> camera ortho

> cofr centerOfView

> volume defaultvalues limitVoxelCount false voxelLimitForPlane
> 1000000000000000 voxelLimitForOpen 1000000000000000 saveSettings true

Saved volume settings  

> mousemode rightMode clip

> mousemode alt rightMode "contour level"

> mousemode alt leftMode "translate selected models"

> mousemode shift leftMode "rotate selected 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

> alias caps_off surface cap false

> alias caps_on surface cap true

> alias selbetween ks ri

> alias helix setattr $1 res is_helix true

> alias strand setattr $1 res is_strand true

> alias coil setattr $1 res is_strand false; setattr $1 res is_helix false

> 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: 1.7.dev202309190305 (2023-09-19)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

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: MacBookPro18,1
      Model Number: MK193FN/A
      Chip: Apple M1 Pro
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 8422.121.1
      OS Loader Version: 8422.121.1

Software:

    System Software Overview:

      System Version: macOS 13.4 (22F66)
      Kernel Version: Darwin 22.5.0
      Time since boot: 71 jours, 17 heures et 13 minutes

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 16
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3456 x 2234 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.4.0
    Babel: 2.12.1
    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: 1.6.2
    charset-normalizer: 3.2.0
    ChimeraX-AddCharge: 1.5.11
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.47.2
    ChimeraX-AtomicLibrary: 10.0.8
    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: 1.0.3
    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: 1.5.4
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.dev202309190305
    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: 1.1.2
    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: 1.2.1
    ChimeraX-Log: 1.1.5
    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
    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: 1.5.12
    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: 1.10.2
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0.1
    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-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: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.9.1
    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: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.12.2
    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: 1.31.5
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.3
    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: 1.1.2
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.4
    contourpy: 1.1.1
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.8.0
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.42.1
    funcparserlib: 1.0.1
    glfw: 2.6.2
    grako: 3.16.5
    h5py: 3.9.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.38
    imagecodecs: 2023.7.10
    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: 5.3.1
    jupyterlab-widgets: 3.0.9
    kiwisolver: 1.4.5
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.3
    matplotlib: 3.7.2
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.8
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.6
    numpy: 1.25.1
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 10.0.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.10.0
    prompt-toolkit: 3.0.39
    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: 25.1.1
    qtconsole: 5.4.3
    QtPy: 2.4.0
    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: 1.0.7
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.5
    sphinxcontrib-htmlhelp: 2.0.4
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.6
    sphinxcontrib-serializinghtml: 1.1.9
    stack-data: 0.6.2
    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: 6.3.3
    traitlets: 5.9.0
    typing-extensions: 4.8.0
    tzdata: 2023.3
    urllib3: 2.0.4
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.9

Change History (2)

comment:1 by Eric Pettersen, 2 years ago

Cc: Tom Goddard added
Component: UnassignedCore
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionCrash in garbage collection during new object allocation

While evaluating atom spec in preset

comment:2 by Eric Pettersen, 2 years ago

Resolution: can't reproduce
Status: acceptedclosed
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