#14456 closed defect (can't reproduce)

Crash in garbage collection

Reported by: haaris.safdari@… Owned by: pett
Priority: normal Milestone:
Component: Core Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        macOS-14.2.1-x86_64-i386-64bit
ChimeraX Version: 1.7.dev202307312254 (2023-07-31 22:54:15 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Current thread 0x00007ff848b9eb80 (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/core/logger.py", line 580 in 
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/logger.py", line 580 in summarize_msgs
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/logger.py", line 569 in log_summary
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/logger.py", line 682 in __exit__
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 482 in collated_open
  File "/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/open_command/cmd.py", line 195 in provider_open
  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/open_command/cmd.py", line 119 in cmd_open
  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/open_command/dialog.py", line 162 in _qt_safe
  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 893 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 1044 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.surface._surface, chimerax.map._map, 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, psutil._psutil_osx, psutil._psutil_posix, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, numpy.linalg.lapack_lite, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, chimerax.atom_search.ast, chimerax.chem_group._chem_group (total: 64)


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{
  "uptime" : 1300000,
  "procRole" : "Foreground",
  "version" : 2,
  "userID" : 505,
  "deployVersion" : 210,
  "modelCode" : "iMac19,1",
  "coalitionID" : 3492,
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    "build" : "23C71",
    "releaseType" : "User"
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  "captureTime" : "2024-01-23 14:44:47.4677 +0100",
  "codeSigningMonitor" : 0,
  "incident" : "37F957D8-E13A-42C2-AFF2-3D2E14D739E6",
  "pid" : 35118,
  "cpuType" : "X86-64",
  "roots_installed" : 0,
  "bug_type" : "309",
  "procLaunch" : "2024-01-23 09:27:24.3046 +0100",
  "procStartAbsTime" : 1291441629275301,
  "procExitAbsTime" : 1310483968260274,
  "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"},
  "storeInfo" : {"deviceIdentifierForVendor":"2BF767B5-E5D0-550C-9BFF-13147159001D","thirdParty":true},
  "parentProc" : "launchd",
  "parentPid" : 1,
  "coalitionName" : "edu.ucsf.cgl.ChimeraX",
  "crashReporterKey" : "E4C15149-BA40-3306-9A73-C2C570B476AC",
  "codeSigningID" : "edu.ucsf.cgl.ChimeraX",
  "codeSigningTeamID" : "LWV8X224YF",
  "codeSigningFlags" : 570491649,
  "codeSigningValidationCategory" : 6,
  "codeSigningTrustLevel" : 4294967295,
  "sip" : "enabled",
  "vmRegionInfo" : "0xa9 is not in any region.  Bytes before following region: 140737486954327\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      shared memory            7fffffeaa000-7fffffeab000 [    4K] r-x\/r-x SM=SHM  ",
  "exception" : {"codes":"0x0000000000000001, 0x00000000000000a9","rawCodes":[1,169],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x00000000000000a9"},
  "termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":35118},
  "vmregioninfo" : "0xa9 is not in any region.  Bytes before following region: 140737486954327\n      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL\n      UNUSED SPACE AT START\n--->  \n      shared memory            7fffffeaa000-7fffffeab000 [    4K] r-x\/r-x SM=SHM  ",
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  "faultingThread" : 0,
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    "uuid" : "37924b83-2695-3956-b7ee-657a50e43c18",
    "path" : "\/System\/Library\/Frameworks\/CoreFoundation.framework\/Versions\/A\/CoreFoundation",
    "name" : "CoreFoundation",
    "CFBundleVersion" : "2202"
  },
  {
    "source" : "P",
    "arch" : "x86_64",
    "base" : 140703395999744,
    "CFBundleShortVersionString" : "2.1.1",
    "CFBundleIdentifier" : "com.apple.HIToolbox",
    "size" : 2736117,
    "uuid" : "af14d05e-43ef-3d63-9f68-28f00e09ee57",
    "path" : "\/System\/Library\/Frameworks\/Carbon.framework\/Versions\/A\/Frameworks\/HIToolbox.framework\/Versions\/A\/HIToolbox",
    "name" : "HIToolbox"
  },
  {
    "source" : "P",
    "arch" : "x86_64",
    "base" : 140703275577344,
    "CFBundleShortVersionString" : "6.9",
    "CFBundleIdentifier" : "com.apple.AppKit",
    "size" : 21024764,
    "uuid" : "20292f0b-3eb2-3566-91e2-ea657457d71d",
    "path" : "\/System\/Library\/Frameworks\/AppKit.framework\/Versions\/C\/AppKit",
    "name" : "AppKit",
    "CFBundleVersion" : "2487.30.108"
  },
  {
    "source" : "P",
    "arch" : "x86_64",
    "base" : 140703214518272,
    "size" : 639936,
    "uuid" : "ab17bf63-259b-3b48-8d70-863166a2191c",
    "path" : "\/usr\/lib\/dyld",
    "name" : "dyld"
  }
],
  "sharedCache" : {
  "base" : 140703213821952,
  "size" : 25769803776,
  "uuid" : "2a323ece-7dbf-33e2-9ef3-3390c59ddc35"
},
  "vmSummary" : "ReadOnly portion of Libraries: Total=1.3G resident=0K(0%) swapped_out_or_unallocated=1.3G(100%)\nWritable regions: Total=18.1G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=18.1G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework               256K        2 \nActivity Tracing                   256K        1 \nCG image                          1936K       48 \nColorSync                          256K       34 \nCoreAnimation                     1392K      161 \nCoreGraphics                        32K        5 \nCoreServices                       620K        2 \nCoreUI image data                 5320K       51 \nFoundation                          36K        2 \nKernel Alloc Once                    8K        1 \nMALLOC                            17.3G      225 \nMALLOC guard page                   96K       24 \nMALLOC_LARGE (reserved)          104.3M        1         reserved VM address space (unallocated)\nMach message                        16K        2 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                        104K       26 \nStack                            141.2M       27 \nStack Guard                       56.0M        1 \nVM_ALLOCATE                      457.6M      303 \nVM_ALLOCATE (reserved)            64.0M        1         reserved VM address space (unallocated)\n__CTF                               824        1 \n__DATA                            56.8M      840 \n__DATA_CONST                      60.9M      458 \n__DATA_DIRTY                      1852K      235 \n__FONT_DATA                        2352        1 \n__GLSLBUILTINS                    5176K        1 \n__INFO_FILTER                         8        1 \n__LINKEDIT                       214.2M      157 \n__OBJC_RO                         71.1M        1 \n__OBJC_RW                         2169K        2 \n__TEXT                             1.0G      844 \ndyld private memory                420K        4 \nmapped file                      257.0M       64 \nshared memory                     2988K       26 \n===========                     =======  ======= \nTOTAL                             19.8G     3556 \nTOTAL, minus reserved VM space    19.7G     3556 \n",
  "legacyInfo" : {
  "threadTriggered" : {
    "name" : "CrBrowserMain",
    "queue" : "com.apple.main-thread"
  }
},
  "logWritingSignature" : "2515098d2af6204d1dfa141db90de510bddb9d7a",
  "trialInfo" : {
  "rollouts" : [
    {
      "rolloutId" : "5ffde50ce2aacd000d47a95f",
      "factorPackIds" : {

      },
      "deploymentId" : 240000361
    },
    {
      "rolloutId" : "645c2d2f9e69a025b0a37e29",
      "factorPackIds" : {

      },
      "deploymentId" : 240000003
    }
  ],
  "experiments" : [

  ]
}
}
===== Log before crash start =====
> mousemode shift leftMode "translate selected models"

> mousemode shift middleMode "rotate selected models"

> mousemode rightMode zoom

> mousemode control wheelMode "contour level"

> mousemode setting "contour level" speed 0.1

> mousemode shift wheelMode "rotate selected models"

> camera ortho

> set bgColor grey

> lighting shadows false

> lighting depthCue false

> graphics silhouettes true

> lighting simple

> functionkey F1 cofr sel

> functionkey F2 mousemode rightMode 'mark surface'

> functionkey F3 mousemode rightMode 'move markers'

> functionkey F4 mk 3 1

> functionkey F5 view

> functionkey F6 view sel pad 0.92 clip false

> functionkey F7 mousemode rightMode 'delete markers'

> functionkey F8 mousemode rightMode zoom

> functionkey F9 sequence chain sel

> functionkey F10 transparency sel 65

> functionkey F11 transparency sel 0

> functionkey F12 tool show 'Fit in Map'

> color name f01graublau #BADBED

Color 'f01graublau' is opaque: rgb(72.9%, 85.9%, 92.9%) hex: #badbed

  

> color name f02silber #F6FAFC

Color 'f02silber' is opaque: rgb(96.5%, 98%, 98.8%) hex: #f6fafc

  

> color name f03muschel #FFFFE5

Color 'f03muschel' is opaque: rgb(100%, 100%, 89.8%) hex: #ffffe5

  

> color name f04beige #F3F3A9

Color 'f04beige' is opaque: rgb(95.3%, 95.3%, 66.3%) hex: #f3f3a9

  

> color name f05gelb #f2b701

Color 'f05gelb' is opaque: rgb(94.9%, 71.8%, 0.392%) hex: #f2b701

  

> color name f06orange #e68310

Color 'f06orange' is opaque: rgb(90.2%, 51.4%, 6.27%) hex: #e68310

  

> color name f07rotorange #FF6A25

Color 'f07rotorange' is opaque: rgb(100%, 41.6%, 14.5%) hex: #ff6a25

  

> color name f08rot #dd3d2d

Color 'f08rot' is opaque: rgb(86.7%, 23.9%, 17.6%) hex: #dd3d2d

  

> color name f09lachs #f97b72

Color 'f09lachs' is opaque: rgb(97.6%, 48.2%, 44.7%) hex: #f97b72

  

> color name f10flieder #D57AD5

Color 'f10flieder' is opaque: rgb(83.5%, 47.8%, 83.5%) hex: #d57ad5

  

> color name f11violett #cf1c90

Color 'f11violett' is opaque: rgb(81.2%, 11%, 56.5%) hex: #cf1c90

  

> color name f12lila #4b148f

Color 'f12lila' is opaque: rgb(29.4%, 7.84%, 56.1%) hex: #4b148f

  

> color name f13dunkelblau #2E2EF7

Color 'f13dunkelblau' is opaque: rgb(18%, 18%, 96.9%) hex: #2e2ef7

  

> color name f14blau #00AAFF

Color 'f14blau' is opaque: rgb(0%, 66.7%, 100%) hex: #00aaff

  

> color name f15cyan #60e2d6

Color 'f15cyan' is opaque: rgb(37.6%, 88.6%, 83.9%) hex: #60e2d6

  

> color name f16blaugrün #30ffa6

Color 'f16blaugrün' is opaque: rgb(18.8%, 100%, 65.1%) hex: #30ffa6

  

> color name f17grün #00FF00

Color 'f17grün' is opaque: rgb(0%, 100%, 0%) hex: #00ff00

  

> color name f18dunkelgrün #228B22

Color 'f18dunkelgrün' is opaque: rgb(13.3%, 54.5%, 13.3%) hex: #228b22

  

> color name f19hellgrau #DCDCDC

Color 'f19hellgrau' is opaque: gray(86.3%) hex: #dcdcdc

  

> color name f20grau #B2B2B2

Color 'f20grau' is opaque: gray(69.8%) hex: #b2b2b2

  

> color name f21anthrazit #323F45

Color 'f21anthrazit' is opaque: rgb(19.6%, 24.7%, 27.1%) hex: #323f45

  

> alias localres color sample #$1 map #$2 offset 0.1 update true palette
> "#0000E7:#001CE7:#0039E7:#0056E7:#0073E7:#0090E7:#00ADE7:#00CAE7:#00E7E7:#00E7CA:#00E7AD:#00E790:#00E773:#00E756:#00E739:#00E71C:#00E700:#1CE700:#39E700:#56E700:#73E700:#90E700:#ADE700:#CAE700:#E7E700:#E7CA00:#E7AD00:#E79000:#E77300:#E75600:#E73900:#E71C00:#E70000"
> range $3,$4

> alias mk color zone #$2 near #$1 sharpEdges true distance 3; fun F4 'mk $1
> $2'

> alias quickmk color zone #$2 near #$1 sharpEdges false distance 3; fun F4
> 'quickmk $1 $2'

> alias mapcolour color zone #$2 near #$1 sharpEdges true distance $3

> alias mapmorph volume morph #$1 #$2 constantVolume true frames 9999 playStep
> $3

> alias mapseries volume morph #$1-$2 constantVolume true frames 9999 playStep
> $3

> alias consurf color byattr seq_conservation protein palette cyanmaroon
> novalue yellow

> alias chaininfo preset custom chaininfo

> alias foto save browse format tiff height 4000 supersample 4
> transparentBackground false

> alias durch save browse format tiff height 4000 supersample 4
> transparentBackground true

> alias session save browse format session includeMaps true compress lz4

> alias nomapsession save browse format session includeMaps false compress lz4

> alias splitup color zone #$1 near sel sharpEdges true distance $2

> alias quicksplitup color zone #$1 near sel sharpEdges false distance $2

> alias spalt volume splitbyzone #$1

> alias undust surface undust #$1

> alias dust1 surface dust #$1 size 1

> alias dust2 surface dust #$1 size 2

> alias dust3 surface dust #$1 size 3

> alias dust4 surface dust #$1 size 4

> alias dust5 surface dust #$1 size 5

> alias dust6 surface dust #$1 size 6

> alias dust7 surface dust #$1 size 7

> alias dust8 surface dust #$1 size 8

> alias dust9 surface dust #$1 size 9

> alias dust10 surface dust #$1 size 10

> alias dust11 surface dust #$1 size 11

> alias dust12 surface dust #$1 size 12

> alias dust13 surface dust #$1 size 13

> alias dust14 surface dust #$1 size 14

> alias dust15 surface dust #$1 size 15

> alias dust20 surface dust #$1 size 20

> alias dust25 surface dust #$1 size 25

> alias dust30 surface dust #$1 size 30

> alias dust35 surface dust #$1 size 35

> alias dust40 surface dust #$1 size 40

> alias dust45 surface dust #$1 size 45

> alias dust50 surface dust #$1 size 50

> alias sunset color sample #$1 map #$2 offset 0.1 update true palette
> "#364B9A:#4A7BB7:#6EA6CD:#98CAE1:#C2E4EF:#EAECCC:#FEDA8B:#FDB366:#F67E4B:#DD3D2D:#A50026"
> range $3,$4

> alias nicemap volume #$1 subdivideSurface true surfacesmoothing true
> smoothLines true squareMesh false meshLighting true

> alias unnicemap volume #$1 subdivideSurface false surfacesmoothing false
> smoothLines false squareMesh true meshLighting true

> alias figure lighting soft ; lighting multishadow 1024 ; graphics
> silhouettes true color black width $1 depthJump 0.03 ; set bgColor white ;
> camera ortho

UCSF ChimeraX version: 1.7.dev202307312254 (2023-07-31)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/Haaris/Desktop/Temporary_Processing/Edeine/run_class001.mrc

Opened run_class001.mrc as #1, grid size 400,400,400, pixel 0.832, shown at
level 0.00588, step 2, values float32  

> set bgColor white

> volume #1 step 1

> volume #1 level 0.003733

> volume #1 level 0.004176

> open
> /Users/Haaris/Desktop/Temporary_Processing/Edeine/run_class001_class3.mrc

Opened run_class001_class3.mrc as #2, grid size 400,400,400, pixel 0.832,
shown at level 0.00811, step 2, values float32  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> volume #2 step 1

> volume #2 level 0.004326

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> show #!2 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!2 models

> open /Users/Haaris/Desktop/Edeine/Edeine_Comparsion_maps.cxs

Opened run_it100_class001.mrc as #1.1, grid size 200,200,200, pixel 1.66,
shown at level 0.0136, step 1, values float32  
Opened run_it100_class002.mrc as #1.2, grid size 200,200,200, pixel 1.66,
shown at level 0.0181, step 1, values float32  
Opened run_it100_class003.mrc as #1.3, grid size 200,200,200, pixel 1.66,
shown at level 0.017, step 1, values float32  
Opened run_it100_class004.mrc as #1.4, grid size 200,200,200, pixel 1.66,
shown at level 0.0256, step 1, values float32  
Opened run_it100_class005.mrc as #1.5, grid size 200,200,200, pixel 1.66,
shown at level 0.0165, step 1, values float32  
opened ChimeraX session  

> hide #!1.4 models

> hide #!4 models

> show #!4 models

> hide #!4.1 models

> show #!4.1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> show #!1.3 models

> hide #!4 models

> hide #!4.1 models

> hide #!2 models

> volume #1.3 level 0.01056

> volume #1.3 level 0.01099

> show #!4 models

> hide #!4 models

> show #!4.1 models

> volume #1.3 level 0.02218

> volume #1.3 level 0.02261

> show #!1.2 models

> hide #!1.3 models

> color #1.2 #b2b2b2b1 models

> show #!1.1 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.4 models

> hide #!1.1 models

> show #!1.3 models

> hide #!1.4 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1.2 models

> hide #!1.3 models

> show #!1.4 models

> show #!1.3 models

> hide #!1.3 models

> hide #!1.4 models

> hide #!4 models

> hide #!4.1 models

> show #!1.2 models

> volume #1.2 level 0.01525

> hide #!1.2 models

> close #1.2

> close

> open /Users/Haaris/Desktop/Temporary_Processing/Edeine/run_class001.mrc

Opened run_class001.mrc as #1, grid size 400,400,400, pixel 0.832, shown at
level 0.00588, step 2, values float32  

> open
> /Users/Haaris/Desktop/Temporary_Processing/Edeine/run_class001_class3.mrc

Opened run_class001_class3.mrc as #2, grid size 400,400,400, pixel 0.832,
shown at level 0.00811, step 2, values float32  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> fitmap #1 inMap #2

Fit map run_class001.mrc in map run_class001_class3.mrc using 79930 points  
correlation = 0.9679, correlation about mean = 0.8419, overlap = 13.53  
steps = 56, shift = 0.903, angle = 1.12 degrees  
  
Position of run_class001.mrc (#1) relative to run_class001_class3.mrc (#2)
coordinates:  
Matrix rotation and translation  
0.99981252 -0.00322003 0.01909326 -3.36117137  
0.00317458 0.99999206 0.00241019 -0.38362619  
-0.01910087 -0.00234912 0.99981480 2.78245839  
Axis -0.12198018 0.97890759 0.16389257  
Axis point 139.77349753 0.00000000 174.27857876  
Rotation angle (degrees) 1.11782834  
Shift along axis 0.49048597  
  

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!2 models

> show #!2 models

> show #!1 models

> select ~sel & ##selected

Nothing selected  

> open 4u4n

Summary of feedback from opening 4u4n fetched from pdb  
---  
warnings | Atom OP1 has no neighbors to form bonds with according to residue
template for G /5:420  
Atom OP2 has no neighbors to form bonds with according to residue template for
G /5:420  
  
4u4n title:  
Crystal structure of Edeine bound to the yeast 80S ribosome [more info...]  
  
Chain information for 4u4n #3  
---  
Chain | Description | UniProt  
1 5 | 25S ribosomal RNA |  
2 6 | 18S ribosomal RNA |  
3 7 | 5S ribosomal RNA |  
4 8 | 5.8S ribosomal RNA |  
C0 c0 | 40S ribosomal protein S10-A | RS10A_YEAST 1-105  
C1 c1 | 40S ribosomal protein S11-A | RS11A_YEAST 2-156  
C2 c2 | 40S ribosomal protein S12 | RS12_YEAST 2-143  
C3 c3 | 40S ribosomal protein S13 | RS13_YEAST 2-151  
C4 c4 | 40S ribosomal protein S14-A | RS14A_YEAST 2-137  
C5 c5 | 40S ribosomal protein S15 | RS15_YEAST 2-142  
C6 c6 | 40S ribosomal protein S16-A | RS16A_YEAST 2-143  
C7 c7 | 40S ribosomal protein S17-A | RS17A_YEAST 1-136  
C8 c8 | 40S ribosomal protein S18-A | RS18A_YEAST 2-146  
C9 c9 | 40S ribosomal protein S19-A | RS19A_YEAST 2-144  
D0 d0 | 40S ribosomal protein S20 | RS20_YEAST 2-121  
D1 d1 | 40S ribosomal protein S21-A | RS21A_YEAST 1-87  
D2 d2 | 40S ribosomal protein S22-A | RS22A_YEAST 2-130  
D3 d3 | 40S ribosomal protein S23-A | RS23A_YEAST 2-145  
D4 d4 | 40S ribosomal protein S24-A | RS24A_YEAST 2-135  
D5 d5 | 40S ribosomal protein S25-A | RS25A_YEAST 2-108  
D6 d6 | 40S ribosomal protein S26-B | RS26B_YEAST 2-98  
D7 d7 | 40S ribosomal protein S27-A | RS27_YEAST 2-82  
D8 d8 | 40S ribosomal protein S28-A | RS28A_YEAST 2-67  
D9 d9 | 40S ribosomal protein S29-A | RS29A_YEAST 2-56  
E0 | 40S ribosomal protein S30-A | RS30A_YEAST 2-61  
E1 e1 | Ubiquitin-40S ribosomal protein S31 | RS27A_YEAST 77-152  
L2 l2 | 60S ribosomal protein L2-A | RL2A_YEAST 2-254  
L3 l3 | 60S ribosomal protein L3 | RL3_YEAST 2-387  
L4 l4 | 60S ribosomal protein L4-A | RL4A_YEAST 2-362  
L5 l5 | 60S ribosomal protein L5 | RL5_YEAST 2-297  
L6 l6 | 60S ribosomal protein L6-A | RL6A_YEAST 2-176  
L7 l7 | 60S ribosomal protein L7-A | RL7A_YEAST 2-244  
L8 l8 | 60S ribosomal protein L8-A | RL8A_YEAST 2-256  
L9 l9 | 60S ribosomal protein L9-A | RL9A_YEAST 1-191  
M0 m0 | 60S ribosomal protein L10 | RL10_YEAST 2-221  
M1 m1 | 60S ribosomal protein L11-B | RL11B_YEAST 2-174  
M3 m3 | 60S ribosomal protein L13-A | RL13A_YEAST 2-199  
M4 m4 | 60S ribosomal protein L14-A | RL14A_YEAST 2-138  
M5 m5 | 60S ribosomal protein L15-A | RL15A_YEAST 2-204  
M6 m6 | 60S ribosomal protein L16-A | RL16A_YEAST 2-199  
M7 m7 | 60S ribosomal protein L17-A | RL17A_YEAST 2-184  
M8 m8 | 60S ribosomal protein L18-A | RL18A_YEAST 2-186  
M9 m9 | 60S ribosomal protein L19-A | RL19A_YEAST 2-189  
N0 n0 | 60S ribosomal protein L20-A | RL20A_YEAST 1-172  
N1 n1 | 60S ribosomal protein L21-A | RL21A_YEAST 2-160  
N2 n2 | 60S ribosomal protein L22-A | RL22A_YEAST 2-121  
N3 n3 | 60S ribosomal protein L23-A | RL23A_YEAST 2-137  
N4 n4 | 60S ribosomal protein L24-A | RL24A_YEAST 1-155  
N5 n5 | 60S ribosomal protein L25 | RL25_YEAST 2-142  
N6 n6 | 60S ribosomal protein L26-A | RL26A_YEAST 2-127  
N7 n7 | 60S ribosomal protein L27-A | RL27A_YEAST 2-136  
N8 n8 | 60S ribosomal protein L28 | RL28_YEAST 2-149  
N9 n9 | 60S ribosomal protein L29 | RL29_YEAST 2-59  
O0 o0 | 60S ribosomal protein L30 | RL30_YEAST 2-105  
O1 o1 | 60S ribosomal protein L31-A | RL31A_YEAST 2-113  
O2 o2 | 60S ribosomal protein L32 | RL32_YEAST 2-130  
O3 o3 | 60S ribosomal protein L33-A | RL33A_YEAST 2-107  
O4 o4 | 60S ribosomal protein L34-A | RL34A_YEAST 2-120  
O5 o5 | 60S ribosomal protein L35-A | RL35A_YEAST 2-120  
O6 o6 | 60S ribosomal protein L36-A | RL36A_YEAST 2-100  
O7 o7 | 60S ribosomal protein L37-A | RL37A_YEAST 2-88  
O8 o8 | 60S ribosomal protein L38 | RL38_YEAST 2-78  
O9 o9 | 60S ribosomal protein L39 | RL39_YEAST 2-51  
Q0 q0 | Ubiquitin-60S ribosomal protein L40 | RL401_YEAST 77-128  
Q1 q1 | 60S ribosomal protein L41-A | RL41A_YEAST 1-25  
Q2 q2 | 60S ribosomal protein L42-A | RL44A_YEAST 2-106  
Q3 q3 | 60S ribosomal protein L43-A | RL43A_YEAST 2-92  
S0 s0 | 40S ribosomal protein S0-A | RSSA1_YEAST 2-252  
S1 s1 | 40S ribosomal protein S1-A | RS3A1_YEAST 2-255  
S2 s2 | 40S ribosomal protein S2 | RS2_YEAST 2-254  
S3 s3 | 40S ribosomal protein S3 | RS3_YEAST 2-240  
S4 s4 | 40S ribosomal protein S4-A | RS4A_YEAST 2-261  
S5 s5 | 40S ribosomal protein S5 | RS5_YEAST 2-225  
S6 s6 | 40S ribosomal protein S6-A | RS6A_YEAST 1-236  
S7 s7 | 40S ribosomal protein S7-A | RS7A_YEAST 2-190  
S8 s8 | 40S ribosomal protein S8-A | RS8A_YEAST 1-200  
S9 s9 | 40S ribosomal protein S9-A | RS9A_YEAST 2-197  
SM sM | Suppressor protein STM1 | STM1_YEAST 1-273  
SR sR | Guanine nucleotide-binding protein subunit beta-like protein |
GBLP_YEAST 2-319  
e0 | 40S ribosomal protein S30-A | RS30A_YEAST 2-63  
m2 | Unknown protein m2 |  
p0 | 60S acidic ribosomal protein P0 | RLA0_YEAST 2-312  
p1 | Unknown protein p1 |  
p2 | Unknown protein p2 |  
  
Non-standard residues in 4u4n #3  
---  
EDE — edeine B  
MG — magnesium ion  
OHX — osmium (III) hexammine (osmium(6+) hexaazanide)  
ZN — zinc ion  
  
4u4n mmCIF Assemblies  
---  
1| software_defined_assembly  
2| software_defined_assembly  
  

> sym #3 assembly 2

Made 1 copies for 4u4n assembly 2  

> view

> close #3

> select add #4.1

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 4 models
selected  

> show sel cartoons

> show sel atoms

> hide sel atoms

> select subtract #4.1

Nothing selected  

> select add #4

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 5 models
selected  

> open 1I96

1i96 title:  
Crystal structure of the 30S ribosomal subunit from thermus thermophilus In
complex with the translation initiation factor IF3 (C-terminal domain) [more
info...]  
  
Chain information for 1i96 #3  
---  
Chain | Description | UniProt  
A | 16S RRNA |  
B | 30S RIBOSOMAL PROTEIN S2 |  
C | 30S RIBOSOMAL PROTEIN S3 |  
D | 30S RIBOSOMAL PROTEIN S4 | RS4_THETH 2-209  
E | 30S RIBOSOMAL PROTEIN S5 | RS5_THETH 2-162  
F | 30S RIBOSOMAL PROTEIN S6 | RS6_THETH 1-101  
G | 30S RIBOSOMAL PROTEIN S7 | P17291 2-156  
H | 30S RIBOSOMAL PROTEIN S8 | RS8_THETH 1-138  
I | 30S RIBOSOMAL PROTEIN S9 |  
J | 30S RIBOSOMAL PROTEIN S10 | RS10_THETH 2-105  
K | 30S RIBOSOMAL PROTEIN S11 |  
L | 30S RIBOSOMAL PROTEIN S12 | RS12_THETH 5-135  
M | 30S RIBOSOMAL PROTEIN S13 |  
N | 30S RIBOSOMAL PROTEIN S14 | RS14_THETH 2-61  
O | 30S RIBOSOMAL PROTEIN S15 | RS15_THETH 2-89  
P | 30S RIBOSOMAL PROTEIN S16 |  
Q | 30S RIBOSOMAL PROTEIN S17 | RS17_THETH 2-105  
R | 30S RIBOSOMAL PROTEIN S18 |  
S | 30S RIBOSOMAL PROTEIN S19 | RS19_THETH 2-93  
T | 30S RIBOSOMAL PROTEIN S20 |  
U | 30S RIBOSOMAL PROTEIN THX |  
V | TRANSLATION INITIATION FACTOR IF3 |  
  
Non-standard residues in 1i96 #3  
---  
MG — magnesium ion  
WO2 — octadecatungstenyl diphosphate  
ZN — zinc ion  
  

> select add #3

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 9 models
selected  

> select subtract #4

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 4 models selected  

> select subtract #4.1

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 4 models selected  

> show sel cartoons

> hide sel atoms

> select add #4.1

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 8 models
selected  

> view matrix models
> #4.1,0.99984,-0.0040773,-0.017182,3.9991,0.0032659,0.99889,-0.046989,9.8597,0.017354,0.046926,0.99875,-4.7723,#3,0.99984,-0.0040773,-0.017182,3.9991,0.0032659,0.99889,-0.046989,9.8597,0.017354,0.046926,0.99875,-4.7723

> select subtract #3

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 4 models
selected  

> select add #4

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 5 models
selected  

> select subtract #4.1

1 model selected  

> select add #4

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 5 models
selected  

> ui mousemode right "translate selected models"

> select subtract #4

Nothing selected  

> select add #4.1

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 4 models
selected  

> select add #3

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 8 models
selected  

> select add #4

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 9 models
selected  

> select subtract #4.1

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 5 models selected  

> select add #4

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 9 models
selected  

> view matrix models
> #4,0.99927,-0.012456,-0.036246,8.8285,0.011052,0.99919,-0.038695,6.9474,0.036698,0.038266,0.99859,-7.0206,#3,0.99844,-0.018218,-0.052784,12.875,0.013642,0.99622,-0.085788,17.028,0.054147,0.084934,0.99491,-11.262

> view matrix models
> #4,0.99927,-0.012456,-0.036246,58.641,0.011052,0.99919,-0.038695,-70.422,0.036698,0.038266,0.99859,12.52,#3,0.99844,-0.018218,-0.052784,62.687,0.013642,0.99622,-0.085788,-60.341,0.054147,0.084934,0.99491,8.2785

> select subtract #4.1

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 5 models selected  

> view matrix models
> #4,0.99927,-0.012456,-0.036246,90.05,0.011052,0.99919,-0.038695,-129.17,0.036698,0.038266,0.99859,-219.51,#3,0.99844,-0.018218,-0.052784,94.096,0.013642,0.99622,-0.085788,-119.09,0.054147,0.084934,0.99491,-223.75

> view matrix models
> #4,0.99493,0.018263,0.098867,58.862,-0.013864,0.99889,-0.044996,-124.47,-0.099579,0.043397,0.99408,-199.59,#3,0.99655,0.018826,0.080791,62.549,-0.011381,0.99573,-0.091638,-114.46,-0.082171,0.090403,0.99251,-204.3

> view matrix models
> #4,0.92117,-0.21364,-0.32527,176.78,-0.040083,0.7793,-0.62537,23.663,0.38709,0.58911,0.70931,-238.4,#3,0.91468,-0.23242,-0.33065,179.91,-0.048385,0.74925,-0.66051,34.171,0.40126,0.62016,0.67408,-234.43

> view matrix models
> #4,0.92789,-0.20155,-0.31369,172.34,-0.047071,0.77126,-0.63478,27.433,0.36987,0.60377,0.70616,-235.86,#3,0.92164,-0.21983,-0.31977,175.56,-0.05556,0.74081,-0.66941,37.878,0.38404,0.63473,0.67055,-231.8

> view matrix models
> #4,0.92789,-0.20155,-0.31369,168.76,-0.047071,0.77126,-0.63478,-27.963,0.36987,0.60377,0.70616,-228.28,#3,0.92164,-0.21983,-0.31977,171.98,-0.05556,0.74081,-0.66941,-17.518,0.38404,0.63473,0.67055,-224.22

> view matrix models
> #4,0.95711,-0.12838,-0.25972,147.38,-0.034838,0.83896,-0.54308,-54.877,0.28761,0.52884,0.7985,-231.48,#3,0.95204,-0.14433,-0.2698,151.18,-0.041518,0.81268,-0.58123,-44.153,0.30315,0.56455,0.76771,-228.93

> ui mousemode right "rotate selected models"

> view matrix models
> #4,0.99902,0.043649,0.0071443,70.54,-0.041425,0.97999,-0.19469,-141.47,-0.015499,0.19421,0.98084,-207.82,#3,0.99913,0.039862,-0.01208,74.932,-0.041596,0.96993,-0.23979,-131.04,0.0021588,0.24008,0.97075,-210.65

> select add #4

243351 atoms, 253813 bonds, 13856 pseudobonds, 22262 residues, 9 models
selected  

> select subtract #4

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 4 models selected  

> view matrix models
> #3,0.49949,-0.76092,0.41415,129.97,0.83266,0.55363,0.012952,-156.92,-0.23914,0.33837,0.91012,-202.87

> view matrix models
> #3,0.49949,-0.76092,0.41415,321.42,0.83266,0.55363,0.012952,-151.96,-0.23914,0.33837,0.91012,-187.39

> view matrix models
> #3,0.57947,-0.76901,0.26988,339.6,0.58014,0.62179,0.52613,-222.68,-0.57241,-0.14831,0.80644,-100.46

> view matrix models
> #3,0.57947,-0.76901,0.26988,336.68,0.58014,0.62179,0.52613,-111.19,-0.57241,-0.14831,0.80644,-50.458

> view matrix models
> #3,0.40934,-0.73922,0.53479,302.56,0.74155,0.61104,0.27701,-81.204,-0.53155,0.28319,0.79829,-101.91

> view matrix models
> #3,0.40934,-0.73922,0.53479,290.78,0.74155,0.61104,0.27701,-229.15,-0.53155,0.28319,0.79829,-169.97

> view matrix models
> #3,0.18431,-0.67499,0.71443,267.29,0.89453,0.41638,0.16262,-196.52,-0.40724,0.60911,0.68054,-196.9

> view matrix models
> #3,0.18431,-0.67499,0.71443,260.91,0.89453,0.41638,0.16262,-209.99,-0.40724,0.60911,0.68054,-121.09

> view matrix models
> #3,0.36953,-0.68929,0.62316,267.55,0.86579,0.49893,0.038469,-200.59,-0.33743,0.52531,0.78115,-128.77

> view matrix models
> #3,0.36953,-0.68929,0.62316,286.36,0.86579,0.49893,0.038469,-284.22,-0.33743,0.52531,0.78115,-136.29

> view matrix models
> #3,0.54465,-0.7064,0.45205,305.27,0.81273,0.57757,-0.076676,-274.58,-0.20693,0.40916,0.88869,-143.83

> view matrix models
> #3,0.58673,-0.67071,0.45376,298.96,0.77004,0.6355,-0.056346,-282.45,-0.25057,0.38247,0.88934,-138.86

> view matrix models
> #3,0.58673,-0.67071,0.45376,295.12,0.77004,0.6355,-0.056346,-291.27,-0.25057,0.38247,0.88934,-180.58

> view matrix models
> #3,0.59749,-0.67806,0.42807,299.21,0.79979,0.54236,-0.25725,-252.71,-0.057739,0.49607,0.86636,-199.16

> view matrix models
> #3,0.59749,-0.67806,0.42807,296.73,0.79979,0.54236,-0.25725,-235.32,-0.057739,0.49607,0.86636,-189.38

> view matrix models
> #3,0.59749,-0.67806,0.42807,306.98,0.79979,0.54236,-0.25725,-244.29,-0.057739,0.49607,0.86636,-184.39

> view matrix models
> #3,0.62547,-0.66361,0.41038,306.58,0.76412,0.62736,-0.15015,-268.14,-0.15782,0.4075,0.89947,-174.31

> view matrix models
> #3,0.62547,-0.66361,0.41038,303.23,0.76412,0.62736,-0.15015,-266.11,-0.15782,0.4075,0.89947,-174.68

> select subtract #3

Nothing selected  

> hide #!4 models

> show #!4 models

> hide #!4.1 models

> show #!4.1 models

> hide #!3 models

> hide #!4 models

> hide #!4.1 models

> show #!3 models

> select add #2

2 models selected  

> select subtract #2

Nothing selected  

> select add #3

36091 atoms, 36513 bonds, 5230 pseudobonds, 4099 residues, 4 models selected  

> view matrix models
> #3,0.49356,-0.65638,0.57059,285.15,0.68357,-0.11285,-0.72111,-93.241,0.53771,0.74595,0.39298,-172.35

> view matrix models
> #3,0.49356,-0.65638,0.57059,224.17,0.68357,-0.11285,-0.72111,99.994,0.53771,0.74595,0.39298,-71.436

> view matrix models
> #3,-0.72314,-0.060264,0.68806,190.7,0.4624,-0.78225,0.41746,24.8,0.51308,0.62004,0.59355,-84.373

> view matrix models
> #3,-0.72314,-0.060264,0.68806,116.52,0.4624,-0.78225,0.41746,158.4,0.51308,0.62004,0.59355,-0.99605

> view matrix models
> #3,-0.80887,-0.41837,0.41316,202.03,0.54148,-0.80389,0.24607,182.12,0.22919,0.42276,0.87678,-5.9877

> view matrix models
> #3,-0.80887,-0.41837,0.41316,204.44,0.54148,-0.80389,0.24607,179.83,0.22919,0.42276,0.87678,-9.8855

> view matrix models
> #3,-0.80887,-0.41837,0.41316,202.15,0.54148,-0.80389,0.24607,177.86,0.22919,0.42276,0.87678,-16.656

> view matrix models
> #3,-0.77858,-0.2824,0.56042,163.62,0.47968,-0.84362,0.24129,185.95,0.40464,0.45668,0.79228,-16.231

> view matrix models
> #3,-0.77858,-0.2824,0.56042,166.65,0.47968,-0.84362,0.24129,191,0.40464,0.45668,0.79228,-22.107

> view matrix models
> #3,-0.77858,-0.2824,0.56042,156.6,0.47968,-0.84362,0.24129,197.86,0.40464,0.45668,0.79228,-33.091

> view matrix models
> #3,-0.77814,-0.276,0.5642,148.74,0.47493,-0.84639,0.24097,199.23,0.41102,0.45546,0.78969,-23.721

> hide #!1 models

> fitmap #3 inMap #2

Fit molecule 1i96 (#3) to map run_class001_class3.mrc (#2) using 36091 atoms  
average map value = 0.01358, steps = 172  
shifted from previous position = 7.93  
rotated from previous position = 12 degrees  
atoms outside contour = 14241, contour level = 0.0081123  
  
Position of 1i96 (#3) relative to run_class001_class3.mrc (#2) coordinates:  
Matrix rotation and translation  
-0.70372535 -0.40050105 0.58683008 162.16578436  
0.51726758 -0.85503386 0.03676081 225.72965937  
0.48703685 0.32941769 0.80887521 -11.83435366  
Axis 0.30218930 0.10304370 0.94766219  
Axis point 53.06833400 133.09158106 0.00000000  
Rotation angle (degrees) 151.03811207  
Shift along axis 61.04981461  
  

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> hide #!3 models

> hide #!2 models

> show #!2 models

> show #!3 models

> show #!4.1 models

> select subtract #3

Nothing selected  

> select add #4.1

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 4 models
selected  

> view matrix models
> #4.1,0.99984,-0.0040773,-0.017182,-16.266,0.0032659,0.99889,-0.046989,84.29,0.017354,0.046926,0.99875,76.79

> view matrix models
> #4.1,0.38264,-0.42533,0.82017,-100.11,0.85941,-0.16198,-0.48494,59.055,0.33911,0.89043,0.30356,171.1

> view matrix models
> #4.1,0.38264,-0.42533,0.82017,-100.79,0.85941,-0.16198,-0.48494,93.958,0.33911,0.89043,0.30356,200.45

> view matrix models
> #4.1,0.63319,-0.57684,0.51607,-68.571,0.68103,0.098393,-0.72561,181.31,0.36779,0.81091,0.45515,159.17

> view matrix models
> #4.1,0.63319,-0.57684,0.51607,-59.917,0.68103,0.098393,-0.72561,235.27,0.36779,0.81091,0.45515,78.598

> view matrix models
> #4.1,0.6069,-0.22179,0.7632,-124.24,0.75247,-0.14877,-0.6416,206.5,0.25584,0.96368,0.076607,190.2

> view matrix models
> #4.1,0.6069,-0.22179,0.7632,-145.58,0.75247,-0.14877,-0.6416,281.47,0.25584,0.96368,0.076607,143.55

> view matrix models
> #4.1,0.36001,0.061262,0.93094,-147.46,0.78979,-0.55117,-0.26915,190.78,0.49661,0.83214,-0.24681,181.95

> view matrix models
> #4.1,0.36001,0.061262,0.93094,-210.89,0.78979,-0.55117,-0.26915,244.14,0.49661,0.83214,-0.24681,188.4

> view matrix models
> #4.1,0.38033,-0.74051,0.55407,-103.41,0.89454,0.14244,-0.42368,247.8,0.23482,0.65678,0.71659,1.5881

> view matrix models
> #4.1,0.38033,-0.74051,0.55407,-144.85,0.89454,0.14244,-0.42368,266.8,0.23482,0.65678,0.71659,43.895

> view matrix models
> #4.1,0.33227,-0.48767,0.80733,-204.39,0.91126,-0.054842,-0.40817,264.17,0.24333,0.87131,0.42617,109.79

> view matrix models
> #4.1,0.33227,-0.48767,0.80733,-189.71,0.91126,-0.054842,-0.40817,263.39,0.24333,0.87131,0.42617,106.66

> view matrix models
> #4.1,0.41421,-0.23318,0.8798,-228.58,0.83733,-0.28131,-0.46877,297.21,0.3568,0.93086,0.07873,170.56

> view matrix models
> #4.1,0.41421,-0.23318,0.8798,-240.32,0.83733,-0.28131,-0.46877,293.11,0.3568,0.93086,0.07873,186.83

> view matrix models
> #4.1,0.5362,-0.70048,0.47098,-151.18,0.72059,0.089296,-0.68758,361.12,0.43958,0.70807,0.55264,58.501

> ui tool show Matchmaker

> matchmaker #4.1/6 to #3/A pairing ss

Using Nucleic matrix instead of BLOSUM-62 to match 4u4n #4.1/6 to 1i96 #3/A  
Parameters  
---  
Chain pairing | ss  
Alignment algorithm | Needleman-Wunsch  
Similarity matrix | Nucleic  
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 1i96, chain A (#3) with 4u4n, chain 6 (#4.1), sequence alignment
score = 2337.6  
RMSD between 415 pruned atom pairs is 1.120 angstroms; (across all 1462 pairs:
27.040)  
  

> hide #!3 models

> hide #!4 models

> show #!4 models

> select add #4

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 5 models
selected  

> select subtract #4

Nothing selected  

> select add #4.1

207260 atoms, 217300 bonds, 8626 pseudobonds, 18163 residues, 4 models
selected  

> select subtract #4.1

Nothing selected  

> select ::name="EDE"

55 atoms, 55 bonds, 1 residue, 1 model selected  

> show sel atoms

> color #2 #ffffb28a models

> volume #2 step 1

> volume #2 level 0.008845

> show #!3 models

> hide #!2 models

> show #!1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!3 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!4 models

> show #!4 models

> hide #!4 models

> hide #!4.1 models

> show #!4 models

> hide #!4 models

> show #!4 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> show #!2 models

> hide #!1 models

> show #!3 models

> show #!1 models

> hide #!2 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!2 models

> hide #!3 models

> show #!4.1 models

> volume #1 step 1

> save "/Users/Haaris/Desktop/Temporary_Processing/Edeine/chimerax_maps_class3
> and withouttrna.cxs" includeMaps true

> open
> /Users/Haaris/Desktop/Temporary_Processing/Edeine/run_class001_firstrefine.mrc

Opened run_class001_firstrefine.mrc as #5, grid size 200,200,200, pixel 1.66,
shown at level 0.0231, step 1, values float32  

> hide #!4 models

> show #!4 models

> hide #!4.1 models

> color #5 #b2ffff60 models

> hide #!4 models

> color #5 #b2ffff61 models

> show #!4 models

> hide #!2 models

> show #!4.1 models

> volume #5 level 0.02354

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!4.1 models

> hide #!4 models

> hide #!5 models

> show #!4 models

> hide #!4 models

> show #!4 models

> show #!3 models

> show #!5 models

> hide #!5 models

> show #!4.1 models

> hide #!3 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!2 models

> hide #!4 models

> hide #!4.1 models

> hide #!5 models

> show #!5 models

> volume #5 level 0.009282

> volume #5 level 0.02116

> show #!2 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> show #!5 models

> hide #!5 models

> hide #!2 models

> show #!2 models

> show #!5 models

> hide #!2 models

> volume #5 level 0.01522

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001_body.mrc

Opened run_class001_body.mrc as #6, grid size 400,400,400, pixel 0.832, shown
at level 0.00496, step 2, values float32  

> hide #!5 models

> volume #6 step 1

> volume #6 level 0.007256

> volume #6 level 0.007796

> close #6

> show #!5 models

> show #!4.1 models

> hide #!4.1 models

> hide #!5 models

> show #!2 models

> show #!4.1 models

> save "/Users/Haaris/Desktop/Temporary_Processing/Edeine/chimerax_maps_class3
> and withouttrna.cxs" includeMaps true

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001_body.mrc

Opened run_class001_body.mrc as #6, grid size 400,400,400, pixel 0.832, shown
at level 0.00496, step 2, values float32  

> hide #!4.1 models

> hide #!4 models

> hide #!2 models

> volume #5 level 0.01839

> hide #!5 models

> volume #6 step 1

> volume #6 level 0.006851

> open /Users/Haaris/Desktop/Modelling_Ksg/Haaris_Kasugamycin_Coot12.pdb

Chain information for Haaris_Kasugamycin_Coot12.pdb #7  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
K | No description available  
L | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
T | No description available  
U | No description available  
W | No description available  
X | No description available  
  

> show #!7 cartoons

> hide #!7 atoms

> close

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001_body.mrc

Opened run_class001_body.mrc as #1, grid size 400,400,400, pixel 0.832, shown
at level 0.00496, step 2, values float32  

> volume #1 step 1

> volume #1 level 0.006535

> open /Users/Haaris/Desktop/Modelling_Ksg/Haaris_Kasugamycin_Coot12.pdb

Chain information for Haaris_Kasugamycin_Coot12.pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
K | No description available  
L | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
T | No description available  
U | No description available  
W | No description available  
X | No description available  
  

> show cartoons

> hide atoms

> select add #2

35059 atoms, 37996 bonds, 5 pseudobonds, 2591 residues, 2 models selected  

> view matrix models #2,1,0,0,20.863,0,1,0,15.292,0,0,1,-5.5963

> fitmap #2 inMap #1

Fit molecule Haaris_Kasugamycin_Coot12.pdb (#2) to map run_class001_body.mrc
(#1) using 35059 atoms  
average map value = 0.006915, steps = 92  
shifted from previous position = 5.33  
rotated from previous position = 1.75 degrees  
atoms outside contour = 21787, contour level = 0.0065348  
  
Position of Haaris_Kasugamycin_Coot12.pdb (#2) relative to
run_class001_body.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99967811 0.02520518 -0.00289489 21.20704341  
-0.02525112 0.99953466 -0.01711247 18.95538469  
0.00246222 0.01718006 0.99984938 -6.15013976  
Axis 0.55995627 -0.08747533 -0.82389140  
Axis point 812.67860126 -491.45110025 0.00000000  
Rotation angle (degrees) 1.75471226  
Shift along axis 15.28393578  
  

> ui mousemode right "translate selected models"

> view matrix models
> #2,0.99968,0.025205,-0.0028949,23.445,-0.025251,0.99953,-0.017112,18.896,0.0024622,0.01718,0.99985,-9.369

> fitmap #2 inMap #1

Fit molecule Haaris_Kasugamycin_Coot12.pdb (#2) to map run_class001_body.mrc
(#1) using 35059 atoms  
average map value = 0.01826, steps = 56  
shifted from previous position = 0.928  
rotated from previous position = 1.2 degrees  
atoms outside contour = 2861, contour level = 0.0065348  
  
Position of Haaris_Kasugamycin_Coot12.pdb (#2) relative to
run_class001_body.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99994116 0.01043734 0.00295644 24.10229484  
-0.01042697 0.99993951 -0.00349995 13.69397562  
-0.00299279 0.00346892 0.99998950 -6.69780310  
Axis 0.30581760 0.26107201 -0.91559653  
Axis point 896.17225323 -1803.77974033 0.00000000  
Rotation angle (degrees) 0.65283266  
Shift along axis 17.07850489  
  

> volume #1 level 0.004305

> volume #1 level 0.00483

> volume #1 level 0.005486

> save /Users/Haaris/Desktop/Modelling_Ksg/Haaris_Kasugamycin_Coot13.pdb
> relModel #1

> hide #!1 models

> select subtract #2

Nothing selected  

> select /B

564 atoms, 633 bonds, 26 residues, 1 model selected  

> select add #2

35059 atoms, 37996 bonds, 5 pseudobonds, 2591 residues, 2 models selected  

> select subtract #2

Nothing selected  

> ui tool show "Show Sequence Viewer"

> sequence chain /B

Alignment identifier is 2/B  

> show #!1 models

> hide #!2 models

> volume #1 level 0.006797

> volume #1 level 0.007059

> show #!2 models

> open "/Users/Haaris/Desktop/Modelling_Ksg/5lmv_aligned_AndreaAUGmap-coot-1
> (1).pdb"

Chain information for 5lmv_aligned_AndreaAUGmap-coot-1 (1).pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
  

> hide #!2 models

> hide #!3 models

> show #!3 models

> show #!3 cartoons

> hide #!3 atoms

> close #3

> show #!2 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> open /Users/Haaris/Desktop/Modelling_Ksg/6vwm_aligned.pdb

Chain information for 6vwm_aligned.pdb #3  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
4 | No description available  
5 | No description available  
A | No description available  
AA | No description available  
AB | No description available  
AC | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
  

> select add #3

140044 atoms, 152352 bonds, 74 pseudobonds, 9975 residues, 3 models selected  

> show sel cartoons

> hide sel atoms

> view matrix models
> #3,0.92864,-0.17248,0.32844,-16.243,0.16405,0.985,0.053435,-32.583,-0.33273,0.0042566,0.94301,61.642

> view matrix models
> #3,0.92864,-0.17248,0.32844,7.5618,0.16405,0.985,0.053435,-26.046,-0.33273,0.0042566,0.94301,47.096

> view matrix models
> #3,0.9918,0.12535,-0.024996,14.511,-0.12484,0.99195,0.021003,24.645,0.027428,-0.01771,0.99947,-16.902

> view matrix models
> #3,0.99137,-0.065524,0.11356,16.259,0.060068,0.9969,0.050816,-10.173,-0.11653,-0.043556,0.99223,10.398

> view matrix models
> #3,0.99137,-0.065524,0.11356,14.086,0.060068,0.9969,0.050816,-7.8441,-0.11653,-0.043556,0.99223,14.225

> view matrix models
> #3,0.9854,-0.065548,0.15713,8.7703,0.047105,0.99185,0.11835,-14.914,-0.16361,-0.10922,0.98046,31.003

> fitmap #3 inMap #1

Fit molecule 6vwm_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
140044 atoms  
average map value = 0.003391, steps = 304  
shifted from previous position = 6.27  
rotated from previous position = 12 degrees  
atoms outside contour = 115070, contour level = 0.0070593  
  
Position of 6vwm_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99993638 0.01097084 0.00262103 24.09129339  
-0.01096138 0.99993346 -0.00359628 13.77834458  
-0.00266031 0.00356732 0.99999010 -6.76724154  
Axis 0.30265489 0.22313070 -0.92661357  
Axis point 928.85137536 -1731.60218196 0.00000000  
Rotation angle (degrees) 0.67808919  
Shift along axis 16.63633736  
  

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> save /Users/Haaris/Desktop/Modelling_Ksg/6vwm_aligned.pdb models #3 relModel
> #1

> close #3

> open /Users/Haaris/Desktop/Modelling_Ksg/5np6_aligned.pdb

Chain information for 5np6_aligned.pdb #3  
---  
Chain | Description  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
4 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> select add #3

146883 atoms, 159526 bonds, 10662 residues, 1 model selected  

> show sel cartoons

> hide sel atoms

> hide #!1 models

> show #!1 models

> view matrix models
> #3,0.95304,-0.11333,0.28086,-21.011,0.10609,0.99352,0.040896,-22.544,-0.28367,-0.0091798,0.95888,53.208

> view matrix models
> #3,0.95304,-0.11333,0.28086,-11.174,0.10609,0.99352,0.040896,-20.315,-0.28367,-0.0091798,0.95888,46.249

> view matrix models
> #3,0.94898,0.26305,0.1739,-37.161,-0.25673,0.96472,-0.058305,56.533,-0.1831,0.010684,0.98304,24.102

> view matrix models
> #3,0.94898,0.26305,0.1739,-35.242,-0.25673,0.96472,-0.058305,57.7,-0.1831,0.010684,0.98304,11.757

> view matrix models
> #3,0.93908,0.31552,0.13627,-33.997,-0.31176,0.94891,-0.048673,67.007,-0.14466,0.0032251,0.98948,5.3991

> fitmap #3 inMap #1

Fit molecule 5np6_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
146883 atoms  
average map value = 0.003255, steps = 728  
shifted from previous position = 20.9  
rotated from previous position = 19.4 degrees  
atoms outside contour = 121667, contour level = 0.0070593  
  
Position of 5np6_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99991637 0.01257933 0.00300382 23.76375413  
-0.01256970 0.99991587 -0.00320224 13.95056368  
-0.00304385 0.00316422 0.99999036 -6.66117709  
Axis 0.23899962 0.22703247 -0.94410563  
Axis point 847.16032451 -1595.91193628 0.00000000  
Rotation angle (degrees) 0.76314323  
Shift along axis 15.13561390  
  

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!1 models

> fitmap #3 inMap #1

Fit molecule 5np6_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
146883 atoms  
average map value = 0.003255, steps = 1580  
shifted from previous position = 0.0152  
rotated from previous position = 0.00125 degrees  
atoms outside contour = 121656, contour level = 0.0070593  
  
Position of 5np6_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99991662 0.01256063 0.00299769 23.76788665  
-0.01255100 0.99991608 -0.00321174 13.93475803  
-0.00303778 0.00317385 0.99999035 -6.66858997  
Axis 0.24001943 0.22685983 -0.94388839  
Axis point 846.90457993 -1596.93260426 0.00000000  
Rotation angle (degrees) 0.76218367  
Shift along axis 15.16039622  
  

> hide #!1 models

> show #!1 models

> select subtract #3

Nothing selected  

> hide #!1 models

> show #!2 models

> hide #!2 models

> show #!1 models

> hide #!1 models

> ui tool show H-Bonds

> hbonds sel restrict both saltOnly true select true reveal true log true

Atom specifier selects no atoms  

> select #3/A:14

20 atoms, 21 bonds, 1 residue, 1 model selected  

> select up

621 atoms, 694 bonds, 29 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds sel restrict both saltOnly true select true reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	3 5np6_aligned.pdb
    
    0 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    

  
0 hydrogen bonds found  

> select #3/A:17

23 atoms, 25 bonds, 1 residue, 1 model selected  

> select up

621 atoms, 694 bonds, 29 residues, 1 model selected  

> ui tool show H-Bonds

> hbonds sel saltOnly true select true reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	2 Haaris_Kasugamycin_Coot12.pdb
    	3 5np6_aligned.pdb
    
    1 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    Haaris_Kasugamycin_Coot12.pdb #2/W HIS 43 ND1  5np6_aligned.pdb #3/A U 19 OP1  no hydrogen  1.574  N/A
    

  
1 hydrogen bonds found  

> select add #2

35060 atoms, 37996 bonds, 5 pseudobonds, 2592 residues, 3 models selected  

> select subtract #2

1 atom, 1 residue, 1 model selected  

> select add #3

146883 atoms, 159526 bonds, 10662 residues, 1 model selected  

> hide #3 models

> select add #4

146883 atoms, 159526 bonds, 1 pseudobond, 10662 residues, 2 models selected  

> show #3 models

> close #4

> select subtract #3

Nothing selected  

> hide #3 models

> show #3 models

> close #3

> open /Users/Haaris/Desktop/Modelling_Ksg/5np6_aligned.pdb

Chain information for 5np6_aligned.pdb #3  
---  
Chain | Description  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
4 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> show #!1 models

> select add #3

146883 atoms, 159526 bonds, 10662 residues, 1 model selected  

> show sel cartoons

> hide sel atoms

> fitmap #3 inMap #1

Fit molecule 5np6_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
146883 atoms  
average map value = 0.001179, steps = 288  
shifted from previous position = 9.77  
rotated from previous position = 4.86 degrees  
atoms outside contour = 138826, contour level = 0.0070593  
  
Position of 5np6_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99835362 -0.03346963 0.04658153 3.92921316  
0.03631751 0.99743392 -0.06169771 9.89237255  
-0.04439700 0.06328785 0.99700730 3.12901804  
Axis 0.73688466 0.53638744 0.41144807  
Axis point 0.00000000 15.89828662 77.17990237  
Rotation angle (degrees) 4.86491126  
Shift along axis 9.48894971  
  

> view matrix models
> #3,0.98925,-0.10448,0.10227,5.1999,0.097652,0.99278,0.069687,-18.928,-0.10881,-0.058952,0.99231,28.068

> view matrix models
> #3,0.98925,-0.10448,0.10227,24.037,0.097652,0.99278,0.069687,-16.564,-0.10881,-0.058952,0.99231,16.159

> view matrix models
> #3,0.98048,-0.051195,0.18981,6.5461,0.087367,0.97839,-0.18741,24.644,-0.17612,0.20034,0.96377,2.0857

> view matrix models
> #3,0.98048,-0.051195,0.18981,3.2016,0.087367,0.97839,-0.18741,22.35,-0.17612,0.20034,0.96377,-6.2266

> view matrix models
> #3,0.98619,-0.025903,0.16355,3.2954,0.058291,0.97878,-0.19646,28.366,-0.15499,0.20329,0.96677,-10.435

> view matrix models
> #3,0.98619,-0.025903,0.16355,-3.3241,0.058291,0.97878,-0.19646,36.689,-0.15499,0.20329,0.96677,-6.7037

> fitmap #3 inMap #1

Fit molecule 5np6_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
146883 atoms  
average map value = 0.001115, steps = 280  
shifted from previous position = 4.63  
rotated from previous position = 7.67 degrees  
atoms outside contour = 139449, contour level = 0.0070593  
  
Position of 5np6_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99468237 0.07143553 0.07418866 14.14805644  
-0.05271842 0.97197739 -0.22908670 75.80680390  
-0.08847463 0.22395739 0.97057474 -30.96473780  
Axis 0.91134818 0.32721515 -0.24974938  
Axis point 0.00000000 120.60995147 251.26225221  
Rotation angle (degrees) 14.39214450  
Shift along axis 45.43236381  
  

> view matrix models
> #3,0.99694,0.06522,0.043178,19.055,-0.040567,0.90311,-0.4275,110.85,-0.066875,0.42444,0.90298,-47.103

> view matrix models
> #3,0.99694,0.06522,0.043178,8.961,-0.040567,0.90311,-0.4275,109.35,-0.066875,0.42444,0.90298,-44.842

> view matrix models
> #3,0.96419,0.25283,-0.080128,11.324,-0.26512,0.9104,-0.31763,128.83,-0.0073582,0.3275,0.94482,-49.76

> view matrix models
> #3,0.96419,0.25283,-0.080128,16.466,-0.26512,0.9104,-0.31763,128.88,-0.0073582,0.3275,0.94482,-47.339

> view matrix models
> #3,0.99424,-0.046685,-0.096454,47.744,0.049878,0.99828,0.030966,16.363,0.094842,-0.035599,0.99486,-30.407

> fitmap #3 inMap #1

Fit molecule 5np6_aligned.pdb (#3) to map run_class001_body.mrc (#1) using
146883 atoms  
average map value = 0.003255, steps = 992  
shifted from previous position = 21.6  
rotated from previous position = 6.98 degrees  
atoms outside contour = 121658, contour level = 0.0070593  
  
Position of 5np6_aligned.pdb (#3) relative to run_class001_body.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.99991627 0.01258777 0.00299901 23.76470096  
-0.01257841 0.99991602 -0.00312051 13.92817034  
-0.00303804 0.00308253 0.99999063 -6.65277166  
Axis 0.23308158 0.22684448 -0.94562919  
Axis point 847.69121731 -1604.72460587 0.00000000  
Rotation angle (degrees) 0.76243328  
Shift along axis 14.98969771  
  

> show #!2 models

> hide #!1 models

> hide #!2 models

> show #!1 models

> save /Users/Haaris/Desktop/Modelling_Ksg/5np6_aligned.pdb models #3 relModel
> #1

> close #2

> close #3

> close

> open /Users/Haaris/Desktop/Modelling_Ksg/30S_IF2_flipped.mrc

Opened 30S_IF2_flipped.mrc as #1, grid size 440,440,440, pixel 0.8, shown at
level 0.0586, step 2, values float32  

> volume #1 step 1

> volume #1 level 0.07981

> open "/Users/Haaris/Desktop/Modelling_Ksg/5lmv_aligned_AndreaAUGmap-coot-1
> (1).pdb"

Chain information for 5lmv_aligned_AndreaAUGmap-coot-1 (1).pdb #2  
---  
Chain | Description  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
  

> select add #2

59485 atoms, 63983 bonds, 20 pseudobonds, 4744 residues, 3 models selected  

> view matrix models
> #2,0.54298,-0.81951,0.18326,173.26,0.30385,-0.011715,-0.95265,267.45,0.78285,0.57295,0.24264,-92.547

> show sel cartoons

> hide sel atoms

> view matrix models
> #2,0.43492,-0.90045,0.0063817,233.38,-0.525,-0.25932,-0.81063,419.81,0.73158,0.34921,-0.58552,89.333

> view matrix models
> #2,0.43492,-0.90045,0.0063817,250.43,-0.525,-0.25932,-0.81063,424.56,0.73158,0.34921,-0.58552,101.68

> view matrix models
> #2,0.33941,-0.93655,-0.08757,287.61,-0.61993,-0.1527,-0.76965,416.78,0.70745,0.31552,-0.63243,118.78

> view matrix models
> #2,0.33941,-0.93655,-0.08757,292.74,-0.61993,-0.1527,-0.76965,429.41,0.70745,0.31552,-0.63243,120.26

> view matrix models
> #2,0.26779,-0.87968,-0.393,346.75,-0.81017,0.015169,-0.58599,404,0.52145,0.47532,-0.70863,138.83

> view matrix models
> #2,0.26779,-0.87968,-0.393,342.02,-0.81017,0.015169,-0.58599,402.27,0.52145,0.47532,-0.70863,136.96

> fitmap #2 inMap #1

Fit molecule 5lmv_aligned_AndreaAUGmap-coot-1 (1).pdb (#2) to map
30S_IF2_flipped.mrc (#1) using 59485 atoms  
average map value = 0.1923, steps = 220  
shifted from previous position = 2.34  
rotated from previous position = 15 degrees  
atoms outside contour = 13557, contour level = 0.079807  
  
Position of 5lmv_aligned_AndreaAUGmap-coot-1 (1).pdb (#2) relative to
30S_IF2_flipped.mrc (#1) coordinates:  
Matrix rotation and translation  
0.16141245 -0.95085759 -0.26422692 348.03537918  
-0.69255635 0.08160319 -0.71673330 392.99161741  
0.70307306 0.29868171 -0.64535069 122.88646307  
Axis 0.71207566 -0.67833425 0.18113779  
Axis point 0.00000000 326.28972187 133.53259185  
Rotation angle (degrees) 134.52074992  
Shift along axis 3.50723285  
  

> select subtract #2

Nothing selected  

> volume #1 level 0.05152

> volume #1 level 0.08216

> volume #1 level 0.06331

> save "/Users/Haaris/Desktop/Modelling_Ksg/5lmv_aligned_AndreaAUGmap-coot-1
> (1).pdb" relModel #1

> hide #!1 models

> ui tool show "Show Sequence Viewer"

> sequence chain /Y

Alignment identifier is 2/Y  

> show #!1 models

> hide #!1 models

> show #!1 models

> volume #1 level 0.07509

> ui tool show "Show Sequence Viewer"

> sequence chain /Y

Destroying pre-existing alignment with identifier 2/Y  
Alignment identifier is 2/Y  

> hide #!1 models

> open /Users/Haaris/Desktop/Modelling_Ksg/Haaris_Kasugamycin_Coot13.pdb

Chain information for Haaris_Kasugamycin_Coot13.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
K | No description available  
L | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
T | No description available  
U | No description available  
W | No description available  
X | No description available  
  

> hide #!2 models

> select add #3

35059 atoms, 37996 bonds, 5 pseudobonds, 2591 residues, 2 models selected  

> show sel cartoons

> hide sel atoms

> select subtract #3

Nothing selected  

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001_body.mrc

Opened run_class001_body.mrc as #4, grid size 400,400,400, pixel 0.832, shown
at level 0.00496, step 2, values float32  

> volume #4 step 1

> volume #4 level 0.007584

> open 5lmn

5lmn title:  
Structure of bacterial 30S-IF1-IF3-mRNA translation pre-initiation complex
(state-1A) [more info...]  
  
Chain information for 5lmn #5  
---  
Chain | Description | UniProt  
A | 16S ribosomal RNA |  
B | 30S ribosomal protein S2 | RS2_THET8 1-256  
C | 30S ribosomal protein S3 | RS3_THET8 1-239  
D | 30S ribosomal protein S4 | RS4_THET8 1-209  
E | 30S ribosomal protein S5 | RS5_THET8 1-162  
F | 30S ribosomal protein S6 | RS6_THET8 1-101  
G | 30S ribosomal protein S7 | RS7_THET8 1-156  
H | 30S ribosomal protein S8 | RS8_THET8 1-138  
I | 30S ribosomal protein S9 | RS9_THET8 1-128  
J | 30S ribosomal protein S10 | RS10_THET8 1-105  
K | 30S ribosomal protein S11 | RS11_THET8 1-129  
L | 30S ribosomal protein S12 | RS12_THET8 4-135  
M | 30S ribosomal protein S13 | RS13_THET8 1-126  
N | 30S ribosomal protein S14 type Z | RS14Z_THET8 1-61  
O | 30S ribosomal protein S15 | RS15_THET8 1-89  
P | 30S ribosomal protein S16 | RS16_THET8 1-88  
Q | 30S ribosomal protein S17 | RS17_THET8 1-105  
R | 30S ribosomal protein S18 | RS18_THET8 1-88  
S | 30S ribosomal protein S19 | RS19_THET8 1-93  
T | 30S ribosomal protein S20 | RS20_THET8 1-106  
V | 30S ribosomal protein Thx | RSHX_THET8 1-27  
W | Translation initiation factor IF-1 | IF1_THET8 0-71  
X | Translation initiation factor IF-3 | IF3_THET8 2-172  
Y | mRNA |  
  
Non-standard residues in 5lmn #5  
---  
MG — magnesium ion  
ZN — zinc ion  
  

> hide #!4 models

> select add #5

54149 atoms, 58290 bonds, 1844 pseudobonds, 4286 residues, 4 models selected  

> show sel cartoons

> hide sel atoms

> hide #!3 models

> select subtract #5

Nothing selected  

> close #5

> open /Users/Haaris/Desktop/Modelling_Ksg/6vwm_aligned.pdb

Chain information for 6vwm_aligned.pdb #5  
---  
Chain | Description  
1 | No description available  
2 | No description available  
3 | No description available  
4 | No description available  
5 | No description available  
A | No description available  
AA | No description available  
AB | No description available  
AC | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
n | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
  

> show #!5 cartoons

> hide #!5 atoms

> show #!3 models

> hide #!3 models

> show #!4 models

> volume #4 level 0.002469

> volume #4 level 0.006535

> hide #!4 models

> show #!4 models

> hide #!4 models

> show #!2 models

> show #!1 models

> close #5

> hide #!1 models

> show #!1 models

> color #1 #b2b2b29a models

> color #1 #b2b2b299 models

> volume #1 level 0.05388

> volume #1 level 0.08216

> volume #1 level 0.06566

> show #!4 models

> hide #!1 models

> hide #!2 models

> show #!3 models

> volume #4 level 0.005092

> close #1

> close #2

> hide #!3 models

> show #!3 models

> hide #!4 models

> select ::name="KSG"

26 atoms, 27 bonds, 1 residue, 1 model selected  

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001_body.mrc

Opened run_class001_body.mrc as #1, grid size 400,400,400, pixel 0.832, shown
at level 0.00496, step 2, values float32  

> volume #1 step 1

> volume #1 level 0.007059

> volume #1 level 0.007453

> open /Users/Haaris/Desktop/Modelling_Ksg/30S_IF2_flipped.mrc

Opened 30S_IF2_flipped.mrc as #2, grid size 440,440,440, pixel 0.8, shown at
level 0.0586, step 2, values float32  

> close #3

> close #1

> close #4

> volume #2 step 1

> volume #2 level 0.04916

> volume #2 level 0.05388

> close

> open /Users/Haaris/Desktop/Modelling_Ksg/run_class001.mrc

Opened run_class001.mrc as #1, grid size 400,400,400, pixel 0.832, shown at
level 0.00636, step 2, values float32  

> volume #1 step 1

> volume #1 level 0.004792

> open /Users/Haaris/Desktop/Modelling_Ksg/30S_IF2_flipped.mrc

Opened 30S_IF2_flipped.mrc as #2, grid size 440,440,440, pixel 0.8, shown at
level 0.0586, step 2, values float32  

> select add #2

2 models selected  

> ui mousemode right "rotate selected models"

> view matrix models
> #2,0.23487,-0.59138,0.77143,101.3,-0.96393,-0.24394,0.10648,368.37,0.12521,-0.76861,-0.62735,401.01

> view matrix models
> #2,0.23487,-0.59138,0.77143,91.476,-0.96393,-0.24394,0.10648,351,0.12521,-0.76861,-0.62735,389.59

> view matrix models
> #2,0.35134,-0.63089,0.69176,92.186,-0.93607,-0.2225,0.27251,313.03,-0.018006,-0.74328,-0.66873,417.44

> fitmap #2 inMap #1

Fit map 30S_IF2_flipped.mrc in map run_class001.mrc using 106331 points  
correlation = 0.912, correlation about mean = 0.7422, overlap = 196  
steps = 312, shift = 5.88, angle = 18 degrees  
  
Position of 30S_IF2_flipped.mrc (#2) relative to run_class001.mrc (#1)
coordinates:  
Matrix rotation and translation  
0.16229209 -0.69262641 0.70280149 129.51610375  
-0.95060331 0.08124797 0.29958658 262.04742830  
-0.26460277 -0.71670596 -0.64522705 452.97789476  
Axis -0.71237281 0.67810445 -0.18082956  
Axis point 0.00000000 326.19283390 133.61685565  
Rotation angle (degrees) 134.49471673  
Shift along axis 3.51998480  
  

> select subtract #2

Nothing selected  

> hide #!2 models

> show #!2 models

> hide #!2 models

> volume #2 step 1

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> volume #1 level 0.003339

> volume #1 level 0.006134

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> show #!2 models

> hide #!2 models

> show #!2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> open /Users/Haaris/Desktop/Modelling_Ksg/Haaris_Kasugamycin_Coot13.pdb

Chain information for Haaris_Kasugamycin_Coot13.pdb #3  
---  
Chain | Description  
A | No description available  
B | No description available  
D | No description available  
E | No description available  
F | No description available  
H | No description available  
K | No description available  
L | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
T | No description available  
U | No description available  
W | No description available  
X | No description available  
  

> hide #!3 models

> show #!3 models

> show #!2 models

> hide #!3 models

> hide #!2 models

> show #!3 models

> select add #3

35059 atoms, 37996 bonds, 5 pseudobonds, 2591 residues, 2 models selected  

> show sel cartoons

> hide sel atoms

> view matrix models
> #3,0.99827,-0.045892,-0.03688,13.731,0.045318,0.99884,-0.016241,-4.6294,0.037583,0.014542,0.99919,-8.4134

> view matrix models
> #3,0.98299,0.0014204,-0.18368,32.081,-0.00071018,0.99999,0.0039324,-0.51434,0.18368,-0.003735,0.98298,-26.767

> ui mousemode right "translate selected models"

> view matrix models
> #3,0.98299,0.0014204,-0.18368,11.364,-0.00071018,0.99999,0.0039324,-12.761,0.18368,-0.003735,0.98298,-15.25

> view matrix models
> #3,0.98299,0.0014204,-0.18368,10.912,-0.00071018,0.99999,0.0039324,-12.66,0.18368,-0.003735,0.98298,-15.791

> fitmap #3 inMap #1

Fit molecule Haaris_Kasugamycin_Coot13.pdb (#3) to map run_class001.mrc (#1)
using 35059 atoms  
average map value = 0.01616, steps = 144  
shifted from previous position = 6.18  
rotated from previous position = 10.4 degrees  
atoms outside contour = 2870, contour level = 0.0061341  
  
Position of Haaris_Kasugamycin_Coot13.pdb (#3) relative to run_class001.mrc
(#1) coordinates:  
Matrix rotation and translation  
0.99994195 -0.01035860 -0.00296606 -23.99666021  
0.01036889 0.99994021 0.00347345 -13.91681403  
0.00292991 -0.00350400 0.99998957 6.67826541  
Axis -0.30803884 -0.26029409 0.91507325  
Axis point 901.81225901 -1812.37751700 0.00000000  
Rotation angle (degrees) 0.64892251  
Shift along axis 17.12546993  
  

> select subtract #3

Nothing selected  

> open /Users/Haaris/Desktop/Modelling_Ksg/1vy4_aligned.pdb


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

Log:
> mousemode shift leftMode "translate selected models"

> mousemode shift middleMode "rotate selected models"

> mousemode rightMode zoom

> mousemode control wheelMode "contour level"

> mousemode setting "contour level" speed 0.1

> mousemode shift wheelMode "rotate selected models"

> camera ortho

> set bgColor grey

> lighting shadows false

> lighting depthCue false

> graphics silhouettes true

> lighting simple

> functionkey F1 cofr sel

> functionkey F2 mousemode rightMode 'mark surface'

> functionkey F3 mousemode rightMode 'move markers'

> functionkey F4 mk 3 1

> functionkey F5 view

> functionkey F6 view sel pad 0.92 clip false

> functionkey F7 mousemode rightMode 'delete markers'

> functionkey F8 mousemode rightMode zoom

> functionkey F9 sequence chain sel

> functionkey F10 transparency sel 65

> functionkey F11 transparency sel 0

> functionkey F12 tool show 'Fit in Map'

> color name f01graublau #BADBED

Color 'f01graublau' is opaque: rgb(72.9%, 85.9%, 92.9%) hex: #badbed

  

> color name f02silber #F6FAFC

Color 'f02silber' is opaque: rgb(96.5%, 98%, 98.8%) hex: #f6fafc

  

> color name f03muschel #FFFFE5

Color 'f03muschel' is opaque: rgb(100%, 100%, 89.8%) hex: #ffffe5

  

> color name f04beige #F3F3A9

Color 'f04beige' is opaque: rgb(95.3%, 95.3%, 66.3%) hex: #f3f3a9

  

> color name f05gelb #f2b701

Color 'f05gelb' is opaque: rgb(94.9%, 71.8%, 0.392%) hex: #f2b701

  

> color name f06orange #e68310

Color 'f06orange' is opaque: rgb(90.2%, 51.4%, 6.27%) hex: #e68310

  

> color name f07rotorange #FF6A25

Color 'f07rotorange' is opaque: rgb(100%, 41.6%, 14.5%) hex: #ff6a25

  

> color name f08rot #dd3d2d

Color 'f08rot' is opaque: rgb(86.7%, 23.9%, 17.6%) hex: #dd3d2d

  

> color name f09lachs #f97b72

Color 'f09lachs' is opaque: rgb(97.6%, 48.2%, 44.7%) hex: #f97b72

  

> color name f10flieder #D57AD5

Color 'f10flieder' is opaque: rgb(83.5%, 47.8%, 83.5%) hex: #d57ad5

  

> color name f11violett #cf1c90

Color 'f11violett' is opaque: rgb(81.2%, 11%, 56.5%) hex: #cf1c90

  

> color name f12lila #4b148f

Color 'f12lila' is opaque: rgb(29.4%, 7.84%, 56.1%) hex: #4b148f

  

> color name f13dunkelblau #2E2EF7

Color 'f13dunkelblau' is opaque: rgb(18%, 18%, 96.9%) hex: #2e2ef7

  

> color name f14blau #00AAFF

Color 'f14blau' is opaque: rgb(0%, 66.7%, 100%) hex: #00aaff

  

> color name f15cyan #60e2d6

Color 'f15cyan' is opaque: rgb(37.6%, 88.6%, 83.9%) hex: #60e2d6

  

> color name f16blaugrün #30ffa6

Color 'f16blaugrün' is opaque: rgb(18.8%, 100%, 65.1%) hex: #30ffa6

  

> color name f17grün #00FF00

Color 'f17grün' is opaque: rgb(0%, 100%, 0%) hex: #00ff00

  

> color name f18dunkelgrün #228B22

Color 'f18dunkelgrün' is opaque: rgb(13.3%, 54.5%, 13.3%) hex: #228b22

  

> color name f19hellgrau #DCDCDC

Color 'f19hellgrau' is opaque: gray(86.3%) hex: #dcdcdc

  

> color name f20grau #B2B2B2

Color 'f20grau' is opaque: gray(69.8%) hex: #b2b2b2

  

> color name f21anthrazit #323F45

Color 'f21anthrazit' is opaque: rgb(19.6%, 24.7%, 27.1%) hex: #323f45

  

> alias localres color sample #$1 map #$2 offset 0.1 update true palette
> "#0000E7:#001CE7:#0039E7:#0056E7:#0073E7:#0090E7:#00ADE7:#00CAE7:#00E7E7:#00E7CA:#00E7AD:#00E790:#00E773:#00E756:#00E739:#00E71C:#00E700:#1CE700:#39E700:#56E700:#73E700:#90E700:#ADE700:#CAE700:#E7E700:#E7CA00:#E7AD00:#E79000:#E77300:#E75600:#E73900:#E71C00:#E70000"
> range $3,$4

> alias mk color zone #$2 near #$1 sharpEdges true distance 3; fun F4 'mk $1
> $2'

> alias quickmk color zone #$2 near #$1 sharpEdges false distance 3; fun F4
> 'quickmk $1 $2'

> alias mapcolour color zone #$2 near #$1 sharpEdges true distance $3

> alias mapmorph volume morph #$1 #$2 constantVolume true frames 9999 playStep
> $3

> alias mapseries volume morph #$1-$2 constantVolume true frames 9999 playStep
> $3

> alias consurf color byattr seq_conservation protein palette cyanmaroon
> novalue yellow

> alias chaininfo preset custom chaininfo

> alias foto save browse format tiff height 4000 supersample 4
> transparentBackground false

> alias durch save browse format tiff height 4000 supersample 4
> transparentBackground true

> alias session save browse format session includeMaps true compress lz4

> alias nomapsession save browse format session includeMaps false compress lz4

> alias splitup color zone #$1 near sel sharpEdges true distance $2

> alias quicksplitup color zone #$1 near sel sharpEdges false distance $2

> alias spalt volume splitbyzone #$1

> alias undust surface undust #$1

> alias dust1 surface dust #$1 size 1

> alias dust2 surface dust #$1 size 2

> alias dust3 surface dust #$1 size 3

> alias dust4 surface dust #$1 size 4

> alias dust5 surface dust #$1 size 5

> alias dust6 surface dust #$1 size 6

> alias dust7 surface dust #$1 size 7

> alias dust8 surface dust #$1 size 8

> alias dust9 surface dust #$1 size 9

> alias dust10 surface dust #$1 size 10

> alias dust11 surface dust #$1 size 11

> alias dust12 surface dust #$1 size 12

> alias dust13 surface dust #$1 size 13

> alias dust14 surface dust #$1 size 14

> alias dust15 surface dust #$1 size 15

> alias dust20 surface dust #$1 size 20

> alias dust25 surface dust #$1 size 25

> alias dust30 surface dust #$1 size 30

> alias dust35 surface dust #$1 size 35

> alias dust40 surface dust #$1 size 40

> alias dust45 surface dust #$1 size 45

> alias dust50 surface dust #$1 size 50

> alias sunset color sample #$1 map #$2 offset 0.1 update true palette
> "#364B9A:#4A7BB7:#6EA6CD:#98CAE1:#C2E4EF:#EAECCC:#FEDA8B:#FDB366:#F67E4B:#DD3D2D:#A50026"
> range $3,$4

> alias nicemap volume #$1 subdivideSurface true surfacesmoothing true
> smoothLines true squareMesh false meshLighting true

> alias unnicemap volume #$1 subdivideSurface false surfacesmoothing false
> smoothLines false squareMesh true meshLighting true

> alias figure lighting soft ; lighting multishadow 1024 ; graphics
> silhouettes true color black width $1 depthJump 0.03 ; set bgColor white ;
> camera ortho

UCSF ChimeraX version: 1.7.dev202307312254 (2023-07-31)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  




OpenGL version: 4.1 ATI-5.2.4
OpenGL renderer: AMD Radeon Pro 580X OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

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

    Hardware Overview:

      Model Name: iMac
      Model Identifier: iMac19,1
      Processor Name: 6-Core Intel Core i5
      Processor Speed: 3,7 GHz
      Number of Processors: 1
      Total Number of Cores: 6
      L2 Cache (per Core): 256 KB
      L3 Cache: 9 MB
      Memory: 32 GB
      System Firmware Version: 2020.40.3.0.0
      OS Loader Version: 580~1053
      SMC Version (system): 2.46f13

Software:

    System Software Overview:

      System Version: macOS 14.2.1 (23C71)
      Kernel Version: Darwin 23.2.0
      Time since boot: 15 days, 4 hours, 3 minutes

Graphics/Displays:

    Radeon Pro 580X:

      Chipset Model: Radeon Pro 580X
      Type: GPU
      Bus: PCIe
      PCIe Lane Width: x16
      VRAM (Total): 8 GB
      Vendor: AMD (0x1002)
      Device ID: 0x67df
      Revision ID: 0x00c0
      ROM Revision: 113-D0008A-042
      VBIOS Version: 113-D0008A1X-009
      EFI Driver Version: 01.B1.042
      Metal Support: Metal 2
      Displays:
        iMac:
          Display Type: Built-In Retina LCD
          Resolution: Retina 5K (5120 x 2880)
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        DELL U2412M:
          Resolution: 1920 x 1200 (WUXGA - Widescreen Ultra eXtended Graphics Array)
          UI Looks like: 1920 x 1200
          Framebuffer Depth: 30-Bit Color (ARGB2101010)
          Display Serial Number: 0FFXD31242JL
          Mirror: Off
          Online: Yes
          Rotation: Supported
          Connection Type: Thunderbolt/DisplayPort


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    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: 1.46.1
    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: 2.10.4
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.7.dev202307312254
    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: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.8
    ChimeraX-ListInfo: 1.2
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.1
    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
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.4
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.1
    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: 1.1.1
    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: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.9
    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: 1.12.1
    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-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: 1.31.1
    ChimeraX-uniprot: 2.3
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.1.0
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.41.1
    funcparserlib: 1.0.1
    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: 8.1.0
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.2.0
    jupyter-core: 5.3.1
    jupyterlab-widgets: 3.0.8
    kiwisolver: 1.4.4
    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: 1.5.7
    netCDF4: 1.6.2
    networkx: 3.1
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    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: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.7
    PyOpenGL-accelerate: 3.1.7
    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
    pyzmq: 25.1.0
    qtconsole: 5.4.3
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.31.0
    scipy: 1.11.1
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.8.0
    tcia-utils: 1.5.1
    tifffile: 2023.7.18
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.2
    traitlets: 5.9.0
    typing-extensions: 4.7.1
    tzdata: 2023.3
    urllib3: 2.0.4
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.8

Change History (2)

comment:1 by pett, 21 months ago

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

comment:2 by pett, 21 months ago

Resolution: can't reproduce
Status: acceptedclosed

Hi Haaris,

Thanks for reporting this problem. It is typically difficult for us to debug garbage-collection problems, because garbage collection isn't something that ChimeraX calls directly but instead Python calls it whenever it feels it's appropriate. Nonetheless, we will try to do what we can to try to track this down and fix it.

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

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