Opened 7 months ago

Closed 7 months ago

#17230 closed defect (nonchimerax)

Graphics crash, macOS 14.4, Intel Iris Plus Graphics

Reported by: cmajumdar@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Graphics Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-14.4-x86_64-i386-64bit
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Aborted

Current thread 0x00007ff84b303100 (most recent call first):
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 248 in swap_buffers
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py", line 556 in swap_buffers
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/view.py", line 202 in draw
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/updateloop.py", line 84 in draw_new_frame
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/updateloop.py", line 150 in _redraw_timer_callback
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py", line 315 in event_loop
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1003 in init
  File "/Applications/ChimeraX-1.8.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1166 in 
  File "", line 88 in _run_code
  File "", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, chimerax.surface._surface, chimerax.pdb_lib._load_libs, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree (total: 58)


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{
  "uptime" : 88000,
  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 501,
  "deployVersion" : 210,
  "modelCode" : "MacBookPro16,2",
  "coalitionID" : 8867,
  "osVersion" : {
    "train" : "macOS 14.4",
    "build" : "23E214",
    "releaseType" : "User"
  },
  "captureTime" : "2025-03-28 12:48:12.5660 -0700",
  "codeSigningMonitor" : 0,
  "incident" : "44C6053D-9802-4CCD-96CF-034C1AEB1CA2",
  "pid" : 37245,
  "cpuType" : "X86-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2025-03-28 12:45:42.3235 -0700",
  "procStartAbsTime" : 88644726043598,
  "procExitAbsTime" : 88794945044171,
  "procName" : "ChimeraX",
  "procPath" : "\/Applications\/ChimeraX-1.8.app\/Contents\/MacOS\/ChimeraX",
  "bundleInfo" : {"CFBundleShortVersionString":"1.8.0","CFBundleVersion":"1.8.0.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
  "storeInfo" : {"deviceIdentifierForVendor":"8CEBA582-07F3-579A-96CC-7C82CB1C2547","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "08D9F78E-89A6-80DE-2F38-23E7E4549B72",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "wakeTime" : 5851,
  "bridgeVersion" : {"build":"21P4222","train":"8.4"},
  "sleepWakeUUID" : "EA722F72-6509-4182-9886-43F9B3A16A96",
  "sip" : "enabled",
  "exception" : {"codes":"0x0000000000000000, 0x0000000000000000","rawCodes":[0,0],"type":"EXC_CRASH","signal":"SIGABRT"},
  "termination" : {"flags":0,"code":6,"namespace":"SIGNAL","indicator":"Abort trap: 6","byProc":"ChimeraX","byPid":37245},
  "ktriageinfo" : "VM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\nVM - (arg = 0x3) mach_vm_allocate_kernel failed within call to vm_map_enter\n",
  "asi" : {"libsystem_c.dylib":["abort() called"]},
  "asiSignatures" : ["Graphics hardware encountered an error and was reset: 0x00000002\n"],
  "extMods" : {"caller":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"system":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"targeted":{"thread_create":0,"thread_set_state":0,"task_for_pid":0},"warnings":0},
  "faultingThread" : 0,
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===== Log before crash start =====
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/39models.cxs

Log from Wed Mar 12 11:29:24 2025UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> set bgColor #ffffff00

Log from Sun Jan 26 22:23:23 2025 Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytu.cif

8ytu.cif title:  
Mipa-PETase from Micromonospora pattaloongensis [more info...]  
  
Chain information for 8ytu.cif #1  
---  
Chain | Description | UniProt  
A B C | cutinase | A0A1H3QT72_9ACTN 39-294  
  
Non-standard residues in 8ytu.cif #1  
---  
EDO — 1,2-ethanediol (ethylene glycol)  
GOL — glycerol (glycerin; propane-1,2,3-triol)  
  
8ytu.cif mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
2| author_and_software_defined_assembly  
3| author_and_software_defined_assembly  
  
36 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> select :EDO

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select :GOL

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

> select :GOL

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

> select :GOL

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

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytu_validation_2fo-fc_map_coef.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytu_validation_2fo-fc_map_coef.cif  
---  
warning | No mmCIF models found.  
  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytu-sf.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytu-sf.cif  
---  
warning | No mmCIF models found.  
  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytv.cif

8ytv.cif title:  
The M19 variant of Mipa-Petase from Micromonospora pattaloongensis [more
info...]  
  
Chain information for 8ytv.cif #2  
---  
Chain | Description | UniProt  
A B | cutinase | A0A1H3QT72_9ACTN 39-294  
  
8ytv.cif mmCIF Assemblies  
---  
1| author_defined_assembly  
2| author_defined_assembly  
  
51 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> close #2

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytv-aligned.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytv-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 558  
Unknown polymer entity '1' on line 724  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Chain information for 8ytv-aligned.cif #2  
---  
Chain | Description  
A | No description available  
B | No description available  
  
51 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytw-aligned.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytw-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 288  
Unknown polymer entity '1' on line 428  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Chain information for 8ytw-aligned.cif #3  
---  
Chain | Description  
A | No description available  
  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8yty-aligned.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8yty-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 288  
Unknown polymer entity '1' on line 430  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Chain information for 8yty-aligned.cif #4  
---  
Chain | Description  
A | No description available  
  
129 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytz-aligned.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytz-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 288  
Unknown polymer entity '1' on line 433  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
notes | Fetching CCD 1PE from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/E/1PE/1PE.cif  
Fetching CCD ACT from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/T/ACT/ACT.cif  
  
Chain information for 8ytz-aligned.cif #5  
---  
Chain | Description  
A | No description available  
  

> select #2/B:48-296

1852 atoms, 1903 bonds, 249 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select /B:45-300

1909 atoms, 1965 bonds, 256 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> select /C:44-300

1914 atoms, 1970 bonds, 257 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> save
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/All-str-aligned.cxs

> set bgColor white

> ui mousemode right select

Drag select of 11 atoms, 5 bonds  

> delete atoms sel

> delete bonds sel

> select :EDO

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select :EDO

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select :EDO

4 atoms, 3 bonds, 1 residue, 1 model selected  

> select :EDO

4 atoms, 3 bonds, 1 residue, 1 model selected  

> show sel

> color sel pink

> view sel

> color sel blue

> ui tool show "Side View"

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/5xjh-aligned.pdb

5xjh-aligned.pdb title:  
Crystal structure of petase from ideonella sakaiensis [more info...]  
  
Chain information for 5xjh-aligned.pdb #6  
---  
Chain | Description  
A | petase  
  

> select #6/A:106 #6/A:237 #6/A:206

29 atoms, 28 bonds, 3 residues, 1 model selected  

> show sel

> color sel hotpink

> color sel magenta

> select #6/A:160 #6/A:237 #6/A:206

24 atoms, 22 bonds, 3 residues, 1 model selected  

> color sel magenta

> show sel atoms

> color sel byhetero

> select add #6

2073 atoms, 1977 bonds, 405 residues, 1 model selected  

> select subtract #6

Nothing selected  

> save
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/All-str-aligned.cxs

——— End of log from Sun Jan 26 22:23:23 2025 ———

opened ChimeraX session  

> hide #2 models

> hide #6 models

> hide #1 models

> show #4-5#!3 cartoons

> show #2 models

> show #1 models

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Rhea_134_148_Details/8qrj_LCC_ICCG_x.cif

8qrj_LCC_ICCG_x.cif title:  
LCC-ICCG PETase mutant H218Y [more info...]  
  
Chain information for 8qrj_LCC_ICCG_x.cif #7  
---  
Chain | Description | UniProt  
A | Leaf-branch compost cutinase | PETH_UNKP 1-293  
  
Non-standard residues in 8qrj_LCC_ICCG_x.cif #7  
---  
CA — calcium ion  
EDO — 1,2-ethanediol (ethylene glycol)  
P33 — 3,6,9,12,15,18-hexaoxaicosane-1,20-diol (heptaethylene glycol; PEG330)  
  
25 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> close #7

> close

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/01Group01_8qrj_3pet_6A_m0_id_698.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/02Group01_8qrj_3pet_6A_m1_id_359.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/03Group01_8qrj_3pet_10A_m4_id_401.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/04Group01_8qrj_3pet_6A_m0_id_211.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/05Group01_8qrj_3pet_6A_m0_id_387.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/06Group01_8qrj_3pet_6A_m2_id_580.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/07Group01_8qrj_3pet_6A_m0_id_547.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/08Group01_8qrj_3pet_6A_m2_id_677.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/09Group01_8qrj_3pet_6A_m1_id_709.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/10Group01_8qrj_3pet_6A_m0_id_117.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/11Group01_8qrj_3pet_6A_m0_id_260.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/12Group01_8qrj_3pet_6A_m0_id_58.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/13Group02_8qrj_3pet_6A_m2_id_70.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/14Group02_8qrj_3pet_6A_m0_id_40.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/15Group02_8qrj_3pet_6A_m2_id_638.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/16Group02_8qrj_3pet_10A_m7_id_551.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/17Group02_8qrj_3pet_6A_m0_id_26.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/18Group03_8qrj_3pet_6A_m2_id_78.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/19Group03_8qrj_3pet_6A_m0_id_162.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/20Group03_8qrj_3pet_6A_m0_id_415.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/21Group03_8qrj_3pet_6A_m0_id_146.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/22Group03_8qrj_3pet_6A_m0_id_138.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/23Group03_8qrj_3pet_10A_m4_id_458.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/24Group03_8qrj_3pet_6A_m1_id_330.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/25Group04_8qrj_3pet_6A_m1_id_323.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/26Group04_8qrj_3pet_6A_m2_id_54.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/27Group05_8qrj_3pet_6A_m2_id_322.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/28Group05_8qrj_3pet_6A_m0_id_540.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/29Group05_8qrj_3pet_6A_m2_id_533.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/30Group05_8qrj_3pet_6A_m0_id_669.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/31Group05_8qrj_3pet_6A_m1_id_218.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/32Group05_8qrj_3pet_6A_m2_id_103.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/33Group05_8qrj_3pet_6A_m0_id_408.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/34Group05_8qrj_3pet_6A_m0_id_383.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/35Group06_8qrj_3pet_6A_m1_id_568.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/36Group06_8qrj_3pet_6A_m2_id_148.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/37Group06_8qrj_3pet_6A_m2_id_477.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/38Group07_8qrj_3pet_6A_m2_id_487.pdb
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/39Group07_8qrj_3pet_6A_m2_id_504.pdb

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/Hit-
structures/Final_39_PDBs_One_Fasta_File/01Group01_8qrj_3pet_6A_m0_id_698.pdb  
---  
warning | Ignored bad PDB record found on line 2034  
  
Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/Hit-
structures/Final_39_PDBs_One_Fasta_File/02Group01_8qrj_3pet_6A_m1_id_359.pdb  
---  
warning | Ignored bad PDB record found on line 2040  
  
Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/Hit-
structures/Final_39_PDBs_One_Fasta_File/03Group01_8qrj_3pet_10A_m4_id_401.pdb  
---  
warning | Ignored bad PDB record found on line 2038  
  
Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/Hit-
structures/Final_39_PDBs_One_Fasta_File/04Group01_8qrj_3pet_6A_m0_id_211.pdb  
---  
warning | Ignored bad PDB record found on line 2046  
  
Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/Hit-
structures/Final_39_PDBs_One_Fasta_File/05Group01_8qrj_3pet_6A_m0_id_387.pdb  
---  
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Chain information for 01Group01_8qrj_3pet_6A_m0_id_698.pdb #1  
---  
Chain | Description  
A | No description available  
  
Chain information for 02Group01_8qrj_3pet_6A_m1_id_359.pdb #2  
---  
Chain | Description  
A | No description available  
  
Chain information for 03Group01_8qrj_3pet_10A_m4_id_401.pdb #3  
---  
Chain | Description  
A | No description available  
  
Chain information for 04Group01_8qrj_3pet_6A_m0_id_211.pdb #4  
---  
Chain | Description  
A | No description available  
  
Chain information for 05Group01_8qrj_3pet_6A_m0_id_387.pdb #5  
---  
Chain | Description  
A | No description available  
  
Chain information for 06Group01_8qrj_3pet_6A_m2_id_580.pdb #6  
---  
Chain | Description  
A | No description available  
  
Chain information for 07Group01_8qrj_3pet_6A_m0_id_547.pdb #7  
---  
Chain | Description  
A | No description available  
  
Chain information for 08Group01_8qrj_3pet_6A_m2_id_677.pdb #8  
---  
Chain | Description  
A | No description available  
  
Chain information for 09Group01_8qrj_3pet_6A_m1_id_709.pdb #9  
---  
Chain | Description  
A | No description available  
  
Chain information for 10Group01_8qrj_3pet_6A_m0_id_117.pdb #10  
---  
Chain | Description  
A | No description available  
  
Chain information for 11Group01_8qrj_3pet_6A_m0_id_260.pdb #11  
---  
Chain | Description  
A | No description available  
  
Chain information for 12Group01_8qrj_3pet_6A_m0_id_58.pdb #12  
---  
Chain | Description  
A | No description available  
  
Chain information for 13Group02_8qrj_3pet_6A_m2_id_70.pdb #13  
---  
Chain | Description  
A | No description available  
  
Chain information for 14Group02_8qrj_3pet_6A_m0_id_40.pdb #14  
---  
Chain | Description  
A | No description available  
  
Chain information for 15Group02_8qrj_3pet_6A_m2_id_638.pdb #15  
---  
Chain | Description  
A | No description available  
  
Chain information for 16Group02_8qrj_3pet_10A_m7_id_551.pdb #16  
---  
Chain | Description  
A | No description available  
  
Chain information for 17Group02_8qrj_3pet_6A_m0_id_26.pdb #17  
---  
Chain | Description  
A | No description available  
  
Chain information for 18Group03_8qrj_3pet_6A_m2_id_78.pdb #18  
---  
Chain | Description  
A | No description available  
  
Chain information for 19Group03_8qrj_3pet_6A_m0_id_162.pdb #19  
---  
Chain | Description  
A | No description available  
  
Chain information for 20Group03_8qrj_3pet_6A_m0_id_415.pdb #20  
---  
Chain | Description  
A | No description available  
  
Chain information for 21Group03_8qrj_3pet_6A_m0_id_146.pdb #21  
---  
Chain | Description  
A | No description available  
  
Chain information for 22Group03_8qrj_3pet_6A_m0_id_138.pdb #22  
---  
Chain | Description  
A | No description available  
  
Chain information for 23Group03_8qrj_3pet_10A_m4_id_458.pdb #23  
---  
Chain | Description  
A | No description available  
  
Chain information for 24Group03_8qrj_3pet_6A_m1_id_330.pdb #24  
---  
Chain | Description  
A | No description available  
  
Chain information for 25Group04_8qrj_3pet_6A_m1_id_323.pdb #25  
---  
Chain | Description  
A | No description available  
  
Chain information for 26Group04_8qrj_3pet_6A_m2_id_54.pdb #26  
---  
Chain | Description  
A | No description available  
  
Chain information for 27Group05_8qrj_3pet_6A_m2_id_322.pdb #27  
---  
Chain | Description  
A | No description available  
  
Chain information for 28Group05_8qrj_3pet_6A_m0_id_540.pdb #28  
---  
Chain | Description  
A | No description available  
  
Chain information for 29Group05_8qrj_3pet_6A_m2_id_533.pdb #29  
---  
Chain | Description  
A | No description available  
  
Chain information for 30Group05_8qrj_3pet_6A_m0_id_669.pdb #30  
---  
Chain | Description  
A | No description available  
  
Chain information for 31Group05_8qrj_3pet_6A_m1_id_218.pdb #31  
---  
Chain | Description  
A | No description available  
  
Chain information for 32Group05_8qrj_3pet_6A_m2_id_103.pdb #32  
---  
Chain | Description  
A | No description available  
  
Chain information for 33Group05_8qrj_3pet_6A_m0_id_408.pdb #33  
---  
Chain | Description  
A | No description available  
  
Chain information for 34Group05_8qrj_3pet_6A_m0_id_383.pdb #34  
---  
Chain | Description  
A | No description available  
  
Chain information for 35Group06_8qrj_3pet_6A_m1_id_568.pdb #35  
---  
Chain | Description  
A | No description available  
  
Chain information for 36Group06_8qrj_3pet_6A_m2_id_148.pdb #36  
---  
Chain | Description  
A | No description available  
  
Chain information for 37Group06_8qrj_3pet_6A_m2_id_477.pdb #37  
---  
Chain | Description  
A | No description available  
  
Chain information for 38Group07_8qrj_3pet_6A_m2_id_487.pdb #38  
---  
Chain | Description  
A | No description available  
  
Chain information for 39Group07_8qrj_3pet_6A_m2_id_504.pdb #39  
---  
Chain | Description  
A | No description available  
  

> align #2 toAtoms #1

Unequal number of atoms to pair, 1995 and 1989  

> align #2 toAtoms #1

Unequal number of atoms to pair, 1995 and 1989  

> align #2 toResidues #1

Expected a keyword  

> matchmaker #2 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
02Group01_8qrj_3pet_6A_m1_id_359.pdb, chain A (#2), sequence alignment score =
1241.3  
RMSD between 258 pruned atom pairs is 0.280 angstroms; (across all 258 pairs:
0.280)  
  

> matchmaker #3 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
03Group01_8qrj_3pet_10A_m4_id_401.pdb, chain A (#3), sequence alignment score
= 1258.8  
RMSD between 258 pruned atom pairs is 0.238 angstroms; (across all 258 pairs:
0.238)  
  

> matchmaker #4 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
04Group01_8qrj_3pet_6A_m0_id_211.pdb, chain A (#4), sequence alignment score =
1229.6  
RMSD between 258 pruned atom pairs is 0.172 angstroms; (across all 258 pairs:
0.172)  
  

> select down

Nothing selected  

> matchmaker #5 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
05Group01_8qrj_3pet_6A_m0_id_387.pdb, chain A (#5), sequence alignment score =
1276.6  
RMSD between 258 pruned atom pairs is 0.192 angstroms; (across all 258 pairs:
0.192)  
  

> matchmaker #6 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
06Group01_8qrj_3pet_6A_m2_id_580.pdb, chain A (#6), sequence alignment score =
1215.5  
RMSD between 258 pruned atom pairs is 0.220 angstroms; (across all 258 pairs:
0.220)  
  

> matchmaker #7 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
07Group01_8qrj_3pet_6A_m0_id_547.pdb, chain A (#7), sequence alignment score =
1247.7  
RMSD between 258 pruned atom pairs is 0.235 angstroms; (across all 258 pairs:
0.235)  
  

> matchmaker #8 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
08Group01_8qrj_3pet_6A_m2_id_677.pdb, chain A (#8), sequence alignment score =
1223  
RMSD between 258 pruned atom pairs is 0.215 angstroms; (across all 258 pairs:
0.215)  
  

> matchmaker #9 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
09Group01_8qrj_3pet_6A_m1_id_709.pdb, chain A (#9), sequence alignment score =
1217.5  
RMSD between 258 pruned atom pairs is 0.228 angstroms; (across all 258 pairs:
0.228)  
  

> matchmaker #10 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
10Group01_8qrj_3pet_6A_m0_id_117.pdb, chain A (#10), sequence alignment score
= 1268.9  
RMSD between 258 pruned atom pairs is 0.194 angstroms; (across all 258 pairs:
0.194)  
  

> matchmaker #11 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
11Group01_8qrj_3pet_6A_m0_id_260.pdb, chain A (#11), sequence alignment score
= 1261  
RMSD between 258 pruned atom pairs is 0.171 angstroms; (across all 258 pairs:
0.171)  
  

> matchmaker #12 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
12Group01_8qrj_3pet_6A_m0_id_58.pdb, chain A (#12), sequence alignment score =
1218.1  
RMSD between 258 pruned atom pairs is 0.293 angstroms; (across all 258 pairs:
0.293)  
  

> matchmaker #13 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
13Group02_8qrj_3pet_6A_m2_id_70.pdb, chain A (#13), sequence alignment score =
1252.8  
RMSD between 258 pruned atom pairs is 0.305 angstroms; (across all 258 pairs:
0.305)  
  

> matchmaker #14 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
14Group02_8qrj_3pet_6A_m0_id_40.pdb, chain A (#14), sequence alignment score =
1231.1  
RMSD between 258 pruned atom pairs is 0.239 angstroms; (across all 258 pairs:
0.239)  
  

> matchmaker #15 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
15Group02_8qrj_3pet_6A_m2_id_638.pdb, chain A (#15), sequence alignment score
= 1239.5  
RMSD between 258 pruned atom pairs is 0.282 angstroms; (across all 258 pairs:
0.282)  
  

> matchmaker #16 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
16Group02_8qrj_3pet_10A_m7_id_551.pdb, chain A (#16), sequence alignment score
= 1220.3  
RMSD between 258 pruned atom pairs is 0.232 angstroms; (across all 258 pairs:
0.232)  
  

> matchmaker #17 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
17Group02_8qrj_3pet_6A_m0_id_26.pdb, chain A (#17), sequence alignment score =
1226.9  
RMSD between 258 pruned atom pairs is 0.216 angstroms; (across all 258 pairs:
0.216)  
  

> matchmaker #18 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
18Group03_8qrj_3pet_6A_m2_id_78.pdb, chain A (#18), sequence alignment score =
1224.1  
RMSD between 258 pruned atom pairs is 0.248 angstroms; (across all 258 pairs:
0.248)  
  

> matchmaker #19 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
19Group03_8qrj_3pet_6A_m0_id_162.pdb, chain A (#19), sequence alignment score
= 1248.2  
RMSD between 258 pruned atom pairs is 0.218 angstroms; (across all 258 pairs:
0.218)  
  

> matchmaker #20 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
20Group03_8qrj_3pet_6A_m0_id_415.pdb, chain A (#20), sequence alignment score
= 1237.7  
RMSD between 258 pruned atom pairs is 0.227 angstroms; (across all 258 pairs:
0.227)  
  

> matchmaker #21 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
21Group03_8qrj_3pet_6A_m0_id_146.pdb, chain A (#21), sequence alignment score
= 1263.3  
RMSD between 258 pruned atom pairs is 0.268 angstroms; (across all 258 pairs:
0.268)  
  

> matchmaker #22 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
22Group03_8qrj_3pet_6A_m0_id_138.pdb, chain A (#22), sequence alignment score
= 1261.9  
RMSD between 258 pruned atom pairs is 0.162 angstroms; (across all 258 pairs:
0.162)  
  

> matchmaker #23 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
23Group03_8qrj_3pet_10A_m4_id_458.pdb, chain A (#23), sequence alignment score
= 1248.3  
RMSD between 258 pruned atom pairs is 0.214 angstroms; (across all 258 pairs:
0.214)  
  

> matchmaker #24 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
24Group03_8qrj_3pet_6A_m1_id_330.pdb, chain A (#24), sequence alignment score
= 1248.6  
RMSD between 253 pruned atom pairs is 0.219 angstroms; (across all 258 pairs:
0.484)  
  

> matchmaker #25 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
25Group04_8qrj_3pet_6A_m1_id_323.pdb, chain A (#25), sequence alignment score
= 1252.5  
RMSD between 258 pruned atom pairs is 0.261 angstroms; (across all 258 pairs:
0.261)  
  

> matchmaker #26 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
26Group04_8qrj_3pet_6A_m2_id_54.pdb, chain A (#26), sequence alignment score =
1242.8  
RMSD between 258 pruned atom pairs is 0.240 angstroms; (across all 258 pairs:
0.240)  
  

> matchmaker #27 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
27Group05_8qrj_3pet_6A_m2_id_322.pdb, chain A (#27), sequence alignment score
= 1271  
RMSD between 251 pruned atom pairs is 0.280 angstroms; (across all 258 pairs:
0.875)  
  

> matchmaker #28 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
28Group05_8qrj_3pet_6A_m0_id_540.pdb, chain A (#28), sequence alignment score
= 1279.2  
RMSD between 258 pruned atom pairs is 0.234 angstroms; (across all 258 pairs:
0.234)  
  

> matchmaker #29 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
29Group05_8qrj_3pet_6A_m2_id_533.pdb, chain A (#29), sequence alignment score
= 1231.2  
RMSD between 258 pruned atom pairs is 0.219 angstroms; (across all 258 pairs:
0.219)  
  

> matchmaker #30 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
30Group05_8qrj_3pet_6A_m0_id_669.pdb, chain A (#30), sequence alignment score
= 1243.8  
RMSD between 257 pruned atom pairs is 0.199 angstroms; (across all 258 pairs:
0.246)  
  

> matchmaker #31 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
31Group05_8qrj_3pet_6A_m1_id_218.pdb, chain A (#31), sequence alignment score
= 1249  
RMSD between 258 pruned atom pairs is 0.228 angstroms; (across all 258 pairs:
0.228)  
  

> matchmaker #32 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
32Group05_8qrj_3pet_6A_m2_id_103.pdb, chain A (#32), sequence alignment score
= 1221.1  
RMSD between 250 pruned atom pairs is 0.294 angstroms; (across all 258 pairs:
0.776)  
  

> matchmaker #33 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
33Group05_8qrj_3pet_6A_m0_id_408.pdb, chain A (#33), sequence alignment score
= 1254.5  
RMSD between 258 pruned atom pairs is 0.261 angstroms; (across all 258 pairs:
0.261)  
  

> matchmaker #34 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
34Group05_8qrj_3pet_6A_m0_id_383.pdb, chain A (#34), sequence alignment score
= 1253.5  
RMSD between 258 pruned atom pairs is 0.302 angstroms; (across all 258 pairs:
0.302)  
  

> matchmaker #35 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
35Group06_8qrj_3pet_6A_m1_id_568.pdb, chain A (#35), sequence alignment score
= 1239.9  
RMSD between 257 pruned atom pairs is 0.258 angstroms; (across all 258 pairs:
0.304)  
  

> matchmaker #36 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
36Group06_8qrj_3pet_6A_m2_id_148.pdb, chain A (#36), sequence alignment score
= 1262.4  
RMSD between 258 pruned atom pairs is 0.268 angstroms; (across all 258 pairs:
0.268)  
  

> matchmaker #37 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
37Group06_8qrj_3pet_6A_m2_id_477.pdb, chain A (#37), sequence alignment score
= 1251  
RMSD between 258 pruned atom pairs is 0.272 angstroms; (across all 258 pairs:
0.272)  
  

> matchmaker #38 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
38Group07_8qrj_3pet_6A_m2_id_487.pdb, chain A (#38), sequence alignment score
= 1223.9  
RMSD between 250 pruned atom pairs is 0.325 angstroms; (across all 258 pairs:
0.851)  
  

> matchmaker #39 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with
39Group07_8qrj_3pet_6A_m2_id_504.pdb, chain A (#39), sequence alignment score
= 1218.6  
RMSD between 258 pruned atom pairs is 0.220 angstroms; (across all 258 pairs:
0.220)  
  

> style stick

Changed 77777 atom styles  

> show atoms

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> hide atoms

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[Repeated 2 time(s)]

> save
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/Hit-
> structures/Final_39_PDBs_One_Fasta_File/39_aligned_structures.cxs

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> hide #16 models

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/readme.txt

Unrecognized file suffix '.txt'  

> open
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8ytv-aligned.cif
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/8yty-aligned.cif

Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8ytv-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 558  
Unknown polymer entity '1' on line 724  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Summary of feedback from opening
/Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
Science-Fellows_Rheas-factory/Structures/8yty-aligned.cif  
---  
warnings | Skipping chem_comp category: Missing column 'type' on line 288  
Unknown polymer entity '1' on line 430  
Missing or incomplete sequence information. Inferred polymer connectivity.  
  
  
Chain information for 8ytv-aligned.cif #40  
---  
Chain | Description  
A | No description available  
B | No description available  
  
51 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  
Chain information for 8yty-aligned.cif #41  
---  
Chain | Description  
A | No description available  
  
129 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.  

> matchmaker #40 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with 8ytv-
aligned.cif, chain A (#40), sequence alignment score = 728.4  
RMSD between 232 pruned atom pairs is 0.760 angstroms; (across all 249 pairs:
1.216)  
  

> matchmaker #41 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with 8yty-
aligned.cif, chain A (#41), sequence alignment score = 678.5  
RMSD between 230 pruned atom pairs is 0.851 angstroms; (across all 247 pairs:
1.310)  
  

> matchmaker #40 to #1

Parameters  
---  
Chain pairing | bb  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | BLOSUM-62  
SS fraction | 0.3  
Gap open (HH/SS/other) | 18/18/6  
Gap extend | 1  
SS matrix |  |  | H | S | O  
---|---|---|---  
H | 6 | -9 | -6  
S |  | 6 | -6  
O |  |  | 4  
Iteration cutoff | 2  
  
Matchmaker 01Group01_8qrj_3pet_6A_m0_id_698.pdb, chain A (#1) with 8ytv-
aligned.cif, chain A (#40), sequence alignment score = 728.4  
RMSD between 232 pruned atom pairs is 0.760 angstroms; (across all 249 pairs:
1.216)  
  

> select #40/B:48-296

1852 atoms, 1903 bonds, 249 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> rename #40 _MipaP-M198ytv-aligned.cif

> rename #40 MipaP-M198ytv-aligned.cif

> rename #41 Kubu-P-M12+P185-8yty-aligned.cif

> hide #40 models

> hide #41 models

> show #40 models

> show #41 models

> show #17,31,40-41 atoms

> select :LIG

1560 atoms, 1638 bonds, 39 residues, 39 models selected  

> color sel grey

> select clear

> select :LIG

1560 atoms, 1638 bonds, 39 residues, 39 models selected  

> style sel & #17,31 sphere

Changed 80 atom styles  

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

> select clear

> select :LIG

1560 atoms, 1638 bonds, 39 residues, 39 models selected  

> transparency 75 sel atoms

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> transparency 75 atoms sel

Expected ',' or a keyword  

> transparency sel 75 atoms

> select clear

> select :HOH

550 atoms, 550 residues, 2 models selected  

> delete atoms sel

> delete bonds sel

> hide #40 models

> hide #41 models

> show #41 models

> hide #41 models

> show #41 models

> color #41 #00fa92ff

> color #41 #00fdffff

> color #41 #0096ffff

> color #40 #ff8ad8ff

> select :LIG

1560 atoms, 1638 bonds, 39 residues, 39 models selected  

> transparency 50 atoms sel

Expected ',' or a keyword  

> transparency sel 50 atoms

> select clear

> show #40 models

> hide #40 models

> show #40 models

> hide #41 models

> hide #40 models

> show #41 models

> show #40 models

> hide #40 models

> show #40 models

> hide #40 models

> show #40 models

> hide #40 models

> show #40 models

> hide #40 models

> show #40 models

> hide #40 models

> hide #41 models

> show #41 models

> show #40 models

> hide #17,31,40-41 atoms

> select :LIG

1560 atoms, 1638 bonds, 39 residues, 39 models selected  

> show sel atoms

> select sel @ show sel atoms

> select clear

> select #17:LIG

40 atoms, 42 bonds, 1 residue, 1 model selected  

> color sel grey blue

Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels',
'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword  

> color sel bluegrey

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

> color sel blue

> select clear

> select #17:LIG

40 atoms, 42 bonds, 1 residue, 1 model selected  

> color sel purple

> select cleaer

Expected an objects specifier or a keyword  

> select clear

> hide #31 models

> hide #17 models

> show #31 models

> show #17 models

> show #39 models

> hide #39 models

> show #37 models

> hide #37 models

> show #36 models

> hide #36 models

> select #17:87

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

> show sel atoms

> color sel red

> undo

> select clear

> select #17:84

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

> show sel

> hide sel

> select #17:87

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

> select #40:167

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

> show sel atoms

> save
> /Users/chandrimamajumdar/Desktop/Chandrima/Professional_Development/Berkeley-
> Science-Fellows_Rheas-factory/Structures/39models.cxs

——— End of log from Wed Mar 12 11:29:24 2025 ———

opened ChimeraX session  

> select :4 :5 :16 :18 :26 :45 :49 :50 :54 :56 :64 :65 :68 :71: 73 :98 :101
> :110 :114 :121 :125 :127 :138 :142 :143 :158 :164 :185 :189 :194 :212 :215
> :216 :218 :219 : 222 :225 :229 :231 :233 :236 :237 :241 :243 :246 :249 :254

14758 atoms, 13295 bonds, 1917 residues, 41 models selected  

> show sel atoms

> select clear


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

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 INTEL-22.5.10
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics OpenGL Engine
OpenGL vendor: Intel Inc.

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

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro16,2
      Processor Name: Quad-Core Intel Core i7
      Processor Speed: 2.3 GHz
      Number of Processors: 1
      Total Number of Cores: 4
      L2 Cache (per Core): 512 KB
      L3 Cache: 8 MB
      Hyper-Threading Technology: Enabled
      Memory: 16 GB
      System Firmware Version: 2022.100.22.0.0 (iBridge: 21.16.4222.0.0,0)
      OS Loader Version: 580~1678

Software:

    System Software Overview:

      System Version: macOS 14.4 (23E214)
      Kernel Version: Darwin 23.4.0
      Time since boot: 4 days, 1 hour, 20 minutes

Graphics/Displays:

    Intel Iris Plus Graphics:

      Chipset Model: Intel Iris Plus Graphics
      Type: GPU
      Bus: Built-In
      VRAM (Dynamic, Max): 1536 MB
      Vendor: Intel
      Device ID: 0x8a53
      Revision ID: 0x0007
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-In Retina LCD
          Resolution: 2560 x 1600 Retina
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: No
          Connection Type: Internal
        DELL S2421HN:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: FNJ2ZN3     
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: Thunderbolt/DisplayPort


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

Change History (2)

comment:1 by Eric Pettersen, 7 months ago

Component: UnassignedGraphics
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionGraphics hardware encountered an error and was reset

Reported by Chandrima Majumdar

comment:2 by Tom Goddard, 7 months ago

Resolution: nonchimerax
Status: assignedclosed
Summary: Graphics hardware encountered an error and was resetGraphics crash, macOS 14.4, Intel Iris Plus Graphics

This ChimeraX crash happened in the Mac Intel OpenGL graphics driver. Unfortunately Apple's Intel graphics drivers are rather unstable. There is nothing we can do to fix this. All newer Macs using Apple silicon GPUs have stable OpenGL graphics.

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