﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
20464	Crash in swap_buffers	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-26.3.1-arm64-arm-64bit
ChimeraX Version: 1.11.1 (2026-01-23 05:51:34 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
Fatal Python error: Segmentation fault

Thread 0x0000000302013000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 579 in _handle_results
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x0000000301007000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 531 in _handle_tasks
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017f63b000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/selectors.py"", line 415 in select
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/connection.py"", line 948 in wait
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 502 in _wait_for_updates
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 522 in _handle_workers
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017e62f000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017d623000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017c617000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017b60b000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x000000017a5ff000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x00000001795f3000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x00000001785e7000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Thread 0x00000001775db000 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/multiprocessing/pool.py"", line 114 in worker
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 982 in run
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1045 in _bootstrap_inner
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py"", line 1002 in _bootstrap

Current thread 0x00000001ed7a7100 (most recent call first):
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py"", line 248 in swap_buffers
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/opengl.py"", line 561 in swap_buffers
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/view.py"", line 202 in draw
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/updateloop.py"", line 84 in draw_new_frame
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/updateloop.py"", line 150 in _redraw_timer_callback
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 414 in event_loop
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1064 in init
  File ""/Applications/ChimeraX-1.11.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1229 in 
  File """", line 88 in _run_code
  File """", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, psutil._psutil_osx, psutil._psutil_posix, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, PIL._imaging, chimerax.map._map, chimerax.pdb_lib._load_libs, chimerax.surface._surface, openmm._openmm, openmm.app.internal.xtc_utils, openmm.app.internal.compiled, 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, PIL._imagingmath, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, cython.cimports.libc.math, scipy._lib._ccallback_c, scipy.special._ufuncs_cxx, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.special._ellip_harm_2, scipy.interpolate._fitpack, scipy.interpolate._dfitpack, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.spatial.transform._rotation, scipy.optimize._direct, scipy.interpolate._bspl, scipy.interpolate._ppoly, scipy.interpolate.interpnd, scipy.interpolate._rbfinterp_pythran, scipy.interpolate._rgi_cython, kiwisolver._cext, chimerax.atom_search.ast, chimerax.chem_group._chem_group (total: 121)


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{
  ""uptime"" : 1500000,
  ""procRole"" : ""Foreground"",
  ""version"" : 2,
  ""userID"" : 501,
  ""deployVersion"" : 210,
  ""modelCode"" : ""Mac14,2"",
  ""coalitionID"" : 516682,
  ""osVersion"" : {
    ""train"" : ""macOS 26.3.1"",
    ""build"" : ""25D2128"",
    ""releaseType"" : ""User""
  },
  ""captureTime"" : ""2026-06-05 09:48:48.0847 +0200"",
  ""codeSigningMonitor"" : 2,
  ""incident"" : ""773F4277-A842-4A88-8C3A-DB26D23541F0"",
  ""pid"" : 56719,
  ""translated"" : false,
  ""cpuType"" : ""ARM-64"",
  ""procLaunch"" : ""2026-06-01 10:31:11.5992 +0200"",
  ""procStartAbsTime"" : 33554379235210,
  ""procExitAbsTime"" : 36088948420838,
  ""procName"" : ""ChimeraX"",
  ""procPath"" : ""\/Applications\/ChimeraX-1.11.1.app\/Contents\/MacOS\/ChimeraX"",
  ""bundleInfo"" : {""CFBundleShortVersionString"":""1.11.1"",""CFBundleVersion"":""1.11.1.0"",""CFBundleIdentifier"":""edu.ucsf.cgl.ChimeraX""},
  ""storeInfo"" : {""deviceIdentifierForVendor"":""3CD89724-BB06-51E5-BC56-C5D26E8407B2"",""thirdParty"":true},
  ""parentProc"" : ""launchd"",
  ""parentPid"" : 1,
  ""coalitionName"" : ""edu.ucsf.cgl.ChimeraX"",
  ""crashReporterKey"" : ""76115092-3197-B1C1-2CDC-D4DB48A9BE8D"",
  ""appleIntelligenceStatus"" : {""reasons"":[""selectedLanguageDoesNotMatchSelectedSiriLanguage"",""selectedLanguageDoesNotMatchSelectedSiriLanguageInfo(system: en, siri: en-GB)""],""state"":""unavailable""},
  ""developerMode"" : 1,
  ""bootProgressRegister"" : ""0x3f000000"",
  ""codeSigningID"" : ""edu.ucsf.cgl.ChimeraX"",
  ""codeSigningTeamID"" : ""LWV8X224YF"",
  ""codeSigningFlags"" : 570491649,
  ""codeSigningValidationCategory"" : 6,
  ""codeSigningTrustLevel"" : 4294967295,
  ""codeSigningAuxiliaryInfo"" : 0,
  ""instructionByteStream"" : {""beforePC"":""fyMD1f17v6n9AwCRFOD\/l78DAJH9e8Go\/w9f1sADX9YQKYDSARAA1A=="",""atPC"":""AwEAVH8jA9X9e7+p\/QMAkQng\/5e\/AwCR\/XvBqP8PX9bAA1\/WcAqA0g==""},
  ""bootSessionUUID"" : ""90FCEEF0-3643-41C8-9243-80F4787C3196"",
  ""wakeTime"" : 35,
  ""sleepWakeUUID"" : ""5D9B6463-44C9-4F53-925A-CFEA5A502E72"",
  ""sip"" : ""enabled"",
  ""vmRegionInfo"" : ""0x500001240 is not in any region.  Bytes after previous region: 7871042113  Bytes before following region: 704638400
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      Stack                       32a594000-32ad98000    [ 8208K] rw-\/rwx SM=PRV  thread 49
--->  GAP OF 0x1ff268000 BYTES
      MALLOC_SMALL                52a000000-52a400000    [ 4096K] rw-\/rwx SM=PRV  "",
  ""exception"" : {""codes"":""0x0000000000000001, 0x0000000500001240"",""rawCodes"":[1,21474841152],""type"":""EXC_BAD_ACCESS"",""signal"":""SIGSEGV"",""subtype"":""KERN_INVALID_ADDRESS at 0x0000000500001240""},
  ""termination"" : {""flags"":0,""code"":11,""namespace"":""SIGNAL"",""indicator"":""Segmentation fault: 11"",""byProc"":""ChimeraX"",""byPid"":56719},
  ""vmregioninfo"" : ""0x500001240 is not in any region.  Bytes after previous region: 7871042113  Bytes before following region: 704638400
      REGION TYPE                    START - END         [ VSIZE] PRT\/MAX SHRMOD  REGION DETAIL
      Stack                       32a594000-32ad98000    [ 8208K] rw-\/rwx SM=PRV  thread 49
--->  GAP OF 0x1ff268000 BYTES
      MALLOC_SMALL                52a000000-52a400000    [ 4096K] rw-\/rwx SM=PRV  "",
  ""extMods"" : {""caller"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""system"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""targeted"":{""thread_create"":0,""thread_set_state"":0,""task_for_pid"":0},""warnings"":0},
  ""faultingThread"" : 0,
  ""threads"" : [{

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===== Log before crash start =====
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.11.1 (2026-01-23)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/pz/Downloads/cryosparc_P151_J169_014_volume_map_sharp.mrc

Opened cryosparc_P151_J169_014_volume_map_sharp.mrc as #1, grid size
400,400,400, pixel 0.68, shown at level 0.032, step 2, values float32  

> volume #1 step 1

> ui tool show Toolbar

> lighting soft

> surface dust #1 size 6.8

> volume #1 level 0.06324

> volume #1 level 0.05789

> volume #1 level 0.07305

> volume #1 level 0.057

> volume #1 level 0.06652

> volume #1 level 0.06133

> close #1

> open ""/Users/pz/Documents/structures/model building/MsbA R497A van
> open/MsbA-R497A-van-open-2.78A_J1407.mrc""

Opened MsbA-R497A-van-open-2.78A_J1407.mrc as #1, grid size 400,400,400, pixel
0.68, shown at level 0.0141, step 2, values float32  

> open ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 27.04 A404.pdb""

Chain information for MsbA R497A van open 27.04 A404.pdb #2  
---  
Chain | Description  
A B | No description available  
  

> fitmap #2 inMap #1

Fit molecule MsbA R497A van open 27.04 A404.pdb (#2) to map MsbA-R497A-van-
open-2.78A_J1407.mrc (#1) using 18118 atoms  
average map value = 0.06259, steps = 44  
shifted from previous position = 0.0281  
rotated from previous position = 0.0196 degrees  
atoms outside contour = 4275, contour level = 0.014051  
  
Position of MsbA R497A van open 27.04 A404.pdb (#2) relative to
MsbA-R497A-van-open-2.78A_J1407.mrc (#1) coordinates:  
Matrix rotation and translation  
0.99999995 -0.00028328 0.00015275 0.02138794  
0.00028326 0.99999995 0.00011788 -0.04615004  
-0.00015279 -0.00011784 0.99999998 0.00954088  
Axis -0.34386366 0.44572376 0.82649145  
Axis point 131.39825309 51.15161870 0.00000000  
Rotation angle (degrees) 0.01963769  
Shift along axis -0.02003925  
  

> surface dust #1 size 6.8

> volume #1 step 1

> volume #1 level 0.04068

> isolde start

> set selectionWidth 4

Done loading forcefield  

> isolde set simFidelityMode Medium/Medium

ISOLDE: setting sim fidelity mode to Medium/Medium  
nonbonded_cutoff_distance = 0.900000  
use_gbsa = True  
gbsa_cutoff = 1.100000  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
Chain information for MsbA R497A van open 27.04 A404.pdb #2.2  
---  
Chain | Description  
A B | No description available  
  

> clipper associate #1 toModel #2

Opened MsbA-R497A-van-open-2.78A_J1407.mrc as #2.1.1.1, grid size 400,400,400,
pixel 0.68, shown at step 1, values float32  

> select clear

> select A:404

Expected an objects specifier or a keyword  

> select A?:404

Expected an objects specifier or a keyword  

> select A/:404

Expected an objects specifier or a keyword  

> select /A:404

7 atoms, 6 bonds, 1 residue, 1 model selected  

> view sel

> isolde stepto /A:404

> isolde stepto next

> volume #2.1.1.1 level 0.07958

> isolde stepto next

> volume #2.1.1.1 level 0.08056

> volume #2.1.1.1 level 0.06596

> volume #2.1.1.1 level 0.05526

> isolde stepto next

> isolde stepto prev

> isolde sim stop

No simulation is currently running!  

> isolde sim start /A:403

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start #!2.2/A:417

ISOLDE: started sim  

> select clear

> volume #2.1.1.1 level 0.05644

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.0483

> volume #2.1.1.1 level 0.032

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto /A:442

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02679

> isolde stepto next

> volume #2.1.1.1 level 0.0372

> isolde stepto next

> volume #2.1.1.1 level 0.02011

> volume #2.1.1.1 level 0.0417

> isolde stepto next

> isolde stepto prev

> isolde sim start /A:457

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /A:465

ISOLDE: started sim  

> volume #2.1.1.1 level 0.02389

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select clear

> isolde stepto next

> volume #2.1.1.1 level 0.04643

> isolde stepto next

> volume #2.1.1.1 level 0.03405

> isolde sim start /A:467

ISOLDE: started sim  

> volume #2.1.1.1 level 0.03048

> volume #2.1.1.1 level 0.04592

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.06017

> isolde stepto next

> volume #2.1.1.1 level 0.06104

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03428

> volume #2.1.1.1 level 0.05609

> isolde stepto next

> volume #2.1.1.1 level 0.03685

> volume #2.1.1.1 level 0.05074

> isolde stepto next

> volume #2.1.1.1 level 0.03477

> isolde stepto next

> isolde stepto prev

> isolde sim start /A:517

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto next

> isolde sim start /A:529

ISOLDE: started sim  

> volume #2.1.1.1 level 0.01476

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #2.1.1.1 level 0.03214

> isolde stepto next

> volume #2.1.1.1 level 0.0415

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02462

> volume #2.1.1.1 level 0.03447

> isolde stepto next

> volume #2.1.1.1 level 0.02166

> volume #2.1.1.1 level 0.03447

> isolde stepto next

> volume #2.1.1.1 level 0.01901

> isolde sim start #!2.2/A:553

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde sim start /A:553

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> volume #2.1.1.1 level 0.04278

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.04024

> isolde stepto next

> volume #2.1.1.1 level 0.0246

> isolde sim start #!2.2/A:567

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.02969

> isolde stepto next

> volume #2.1.1.1 level 0.02053

> volume #2.1.1.1 level 0.02786

> isolde stepto next

> volume #2.1.1.1 level 0.01259

> volume #2.1.1.1 level 0.02932

> isolde stepto next

> volume #2.1.1.1 level 0.01631

> isolde sim start /B:5

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #2.1.1.1 level 0.03365

> isolde stepto next

> volume #2.1.1.1 level 0.03043

> volume #2.1.1.1 level 0.03607

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02665

> isolde sim start /B:24

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #2.1.1.1 level 0.04653

> isolde stepto next

> isolde sim start /B:41

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03802

> isolde stepto next

> volume #2.1.1.1 level 0.02146

> volume #2.1.1.1 level 0.0392

> isolde stepto next

> volume #2.1.1.1 level 0.018

> volume #2.1.1.1 level 0.03284

> isolde stepto next

> volume #2.1.1.1 level 0.03186

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.01809

> volume #2.1.1.1 level 0.02547

> isolde stepto next

> isolde sim start #!2.2/B:60

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02173

> volume #2.1.1.1 level 0.0292

> isolde stepto next

> volume #2.1.1.1 level 0.02327

> isolde stepto next

> volume #2.1.1.1 level 0.03082

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:118

ISOLDE: started sim  

> volume #2.1.1.1 level 0.01993

> volume #2.1.1.1 level 0.02114

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.04014

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start #!2.2/B:131

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.0258

> volume #2.1.1.1 level 0.00941

> volume #2.1.1.1 level 0.03297

> isolde stepto next

> isolde sim start /B:140

ISOLDE: started sim  

> isolde pepflip #!2.2/B:140

> isolde stepto next

> isolde pepflip /B:141

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select /A:140

11 atoms, 10 bonds, 1 residue, 1 model selected  

> view sel

> select clear

> select /B:140

11 atoms, 10 bonds, 1 residue, 1 model selected  

> view sel

> isolde sim start #!2.2/B:140

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:140

ISOLDE: started sim  

> isolde stepto prev

> isolde pepflip /B:139

> isolde stepto next

> isolde pepflip /B:140

> isolde stepto next

> isolde pepflip /B:141

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde sim start /B:140

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:140

ISOLDE: started sim  

> select clear

> isolde stepto next

> isolde pepflip /B:141

> isolde stepto next

> isolde pepflip /B:142

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde sim start #!2.2/B:140

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde sim start #!2.2/B:147

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> volume #2.1.1.1 level 0.03799

> isolde stepto next

> volume #2.1.1.1 level 0.02989

> volume #2.1.1.1 level 0.04314

> isolde stepto next

> isolde stepto prev

> volume #2.1.1.1 level 0.02557

> volume #2.1.1.1 level 0.01717

> volume #2.1.1.1 level 0.04009

> isolde stepto next

> volume #2.1.1.1 level 0.02389

> isolde stepto next

> volume #2.1.1.1 level 0.03525

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03643

> isolde stepto next

> volume #2.1.1.1 level 0.02829

> volume #2.1.1.1 level 0.03469

> isolde stepto next

> volume #2.1.1.1 level 0.02694

> isolde stepto next

> volume #2.1.1.1 level 0.03451

> isolde stepto next

> volume #2.1.1.1 level 0.02818

> isolde stepto next

> volume #2.1.1.1 level 0.0336

> isolde sim start /B:164

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde sim start #!2.2/B:168

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03407

> isolde sim start #!2.2/B:169

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 1.06 B169.pdb"" relModel #2.1.1.1

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02581

> volume #2.1.1.1 level 0.03252

> isolde stepto next

> isolde sim start #!2.2/B:180

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.03336

> isolde sim start #!2.2/B:183

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #2.1.1.1 level 0.04343

> isolde stepto next

> volume #2.1.1.1 level 0.03129

> volume #2.1.1.1 level 0.01915

> isolde sim start /B:187

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03028

> isolde stepto next

> volume #2.1.1.1 level 0.02453

> isolde stepto next

> isolde stepto prev

> isolde sim start /B:279

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.01878

> volume #2.1.1.1 level 0.02289

> isolde stepto next

> volume #2.1.1.1 level 0.0203

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:299

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.003304

> volume #2.1.1.1 level 0.01059

> volume #2.1.1.1 level 0.02759

> isolde stepto next

> volume #2.1.1.1 level 0.03304

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.04049

> isolde stepto next

> volume #2.1.1.1 level 0.01465

> volume #2.1.1.1 level 0.03016

> isolde stepto next

> isolde stepto /B:340

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.0199

> volume #2.1.1.1 level 0.03669

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02422

> volume #2.1.1.1 level 0.03573

> isolde stepto next

> volume #2.1.1.1 level 0.02623

> volume #2.1.1.1 level 0.03454

> isolde stepto next

> volume #2.1.1.1 level 0.03335

> isolde sim start #!2.2/B:378

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde sim start /B:403

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start #!2.2/B:424

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.03573

> isolde stepto prev

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 1.06 B422.pdb"" relModel #2.1.1.1

> isolde stepto prev

> isolde stepto next

> isolde sim start #!2.2/B:423

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.02472

> isolde sim start /B:425

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.0345

> isolde stepto prev

> isolde stepto next

> isolde sim start #!2.2/B:424

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.03259

> isolde stepto next

> isolde sim start #!2.2/B:442

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02399

> volume #2.1.1.1 level 0.03641

> isolde stepto next

> volume #2.1.1.1 level 0.01984

> volume #2.1.1.1 level 0.01302

> isolde sim start /B:448

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto prev

> volume #2.1.1.1 level 0.03205

> isolde stepto next

> volume #2.1.1.1 level 0.0223

> isolde sim start /B:448

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde sim start /B:452

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:449-455

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select clear

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02964

> isolde stepto next

> volume #2.1.1.1 level 0.02457

> volume #2.1.1.1 level 0.03471

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> volume #2.1.1.1 level 0.04695

> isolde stepto next

> volume #2.1.1.1 level 0.02345

> isolde stepto next

> volume #2.1.1.1 level 0.03438

> isolde stepto next

> isolde stepto prev

> isolde sim start /B:506

ISOLDE: started sim  

> isolde sim pause

> isolde sim resume

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:504

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:514

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> volume #2.1.1.1 level 0.02395

> isolde stepto next

> isolde stepto prev

> isolde sim start /B:525

ISOLDE: started sim  

> isolde stepto next

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.01788

> volume #2.1.1.1 level 0.03522

> isolde stepto next

> volume #2.1.1.1 level 0.01988

> isolde sim start #!2.2/B:544

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:553

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:553

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde sim start /B:551

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> isolde sim start /B:551

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.02482

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> volume #2.1.1.1 level 0.03325

> isolde stepto next

> isolde stepto prev

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open checked.pdb"" relModel #2.1.1.1

> isolde sim start #!2.2/A:477

ISOLDE: started sim  

> isolde cisflip /A:477

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:477

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:477

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> ui tool show ""Ramachandran Plot""

> isolde sim start /B:337

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto /B:337

> volume #2.1.1.1 level 0.01816

> volume #2.1.1.1 level 0.03148

> isolde sim start /B:337

ISOLDE: started sim  

> isolde pepflip /B:337

> isolde stepto next

> isolde pepflip /B:338

> isolde stepto prev

> isolde pepflip /B:337

> isolde stepto prev

> isolde pepflip /B:336

> isolde stepto next

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:337

ISOLDE: started sim  

> select clear

> isolde stepto prev

> volume #2.1.1.1 level 0.01558

> isolde stepto next

> volume #2.1.1.1 level 0.03392

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:354

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:354

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:441

ISOLDE: started sim  

> isolde stepto next

> isolde pepflip /A:442

> isolde stepto prev

> isolde pepflip /A:441

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde pepflip /A:440

> isolde stepto prev

> isolde stepto next

> isolde pepflip /A:441

> isolde stepto prev

> isolde pepflip /A:440

> isolde stepto prev

> isolde pepflip /A:439

> isolde stepto prev

> isolde pepflip /A:438

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde pepflip /A:439

> isolde stepto next

> isolde pepflip /A:440

> isolde stepto next

> isolde cisflip /A:441

> isolde pepflip /A:441

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde pepflip /A:438

> isolde stepto prev

> isolde pepflip /A:436

> isolde stepto next

> isolde pepflip /A:437

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:437

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:514

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:140

ISOLDE: started sim  

> isolde pepflip /B:140

> isolde stepto prev

> isolde stepto next

> isolde pepflip /B:141

> isolde stepto prev

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:240

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:551

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:551

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:224

ISOLDE: started sim  

> volume #2.1.1.1 level 0.02058

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:424

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:424

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:424

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/A:501

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:501

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto /A:441

> isolde sim start /A:441

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:441

ISOLDE: started sim  

> isolde stepto #!2.2/A:441

> isolde pepflip #!2.2/A:441

> isolde stepto next

> isolde stepto prev

> isolde pepflip /A:439

> isolde stepto next

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select B/:441

Expected an objects specifier or a keyword  

> select /B:441

24 atoms, 23 bonds, 1 residue, 1 model selected  

> select view

Expected an objects specifier or a keyword  

> select view

Expected an objects specifier or a keyword  

> view sel

> select clear

> isolde sim start #!2.2/A:441

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select /B:439

21 atoms, 21 bonds, 1 residue, 1 model selected  

> view sel

> isolde sim start /A:542

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:542

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:542

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

Multiple residues selected! Going to the first...  

> isolde sim start /A:442

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:452

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde stepto next

> isolde stepto prev

> isolde sim start #!2.2/A:544

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:74

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/A:77

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:535

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:544

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:224

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:443

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:542

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> volume #2.1.1.1 level 0.02634

> isolde sim start /B:164

ISOLDE: started sim  

> isolde pepflip /B:164

> isolde stepto next

> isolde pepflip /B:165

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde stepto prev

> select ~sel & ##selected

18107 atoms, 18240 bonds, 1151 residues, 1 model selected  

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 4.06.pdb"" relModel #2.1.1.1

> volume #2.1.1.1 level 0.02953

> isolde sim start /B:164

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:140

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:140

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select clear

> ui tool show ""Show Sequence Viewer""

> sequence chain /A /B

Alignment identifier is 1  

Could not find virtual screen for QCocoaScreen(0xc3014c6c0, ""PA278CV (1)"",
QRect(-2560,-566 2560x1440), dpr=1, displayId=184, )
with displayId 184  

> select
> /A-B:9-54,56-58,61-110,113-118,121-123,125-145,147-161,165-212,214-219,223-270,273-278,281-322,382-389,407-409,412-418,433-437,447-456,460-465,469-471,483-496,513-526,539-542,562-568,571-577

12204 atoms, 12244 bonds, 764 residues, 1 model selected  

> select /A-B:342-345,371-376,399-402,419-422,501-505,531-535,547-552,555-560

1298 atoms, 1284 bonds, 80 residues, 1 model selected  

> select /A-B:5

48 atoms, 46 bonds, 2 residues, 1 model selected  

> select /A-B

18118 atoms, 18250 bonds, 1152 residues, 1 model selected  

> select /A-B:580

42 atoms, 42 bonds, 2 residues, 1 model selected  

> select /A-B

18118 atoms, 18250 bonds, 1152 residues, 1 model selected  

> select /A-B:580

42 atoms, 42 bonds, 2 residues, 1 model selected  

> select /A-B

18118 atoms, 18250 bonds, 1152 residues, 1 model selected  

> select clear

> select /A-B:580

42 atoms, 42 bonds, 2 residues, 1 model selected  

> select /A-B

18118 atoms, 18250 bonds, 1152 residues, 1 model selected  

> save ""/Users/pz/Downloads/msba sequence"" format fasta alignment 1

> select /A-B:5

48 atoms, 46 bonds, 2 residues, 1 model selected  

> select /A-B:5-49

1456 atoms, 1472 bonds, 90 residues, 1 model selected  

> isolde sim start /A:12

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/A:512

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:512,515

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 4.06.pdb"" relModel #2.1.1.1

> isolde sim start /A:509-518

ISOLDE: started sim  

> hbonds

1253 hydrogen bonds found  

> hide hbonds

> display H

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:390

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:382

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:382

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:382

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:551

ISOLDE: started sim  

> select clear

> volume #2.1.1.1 level 0.04054

> isolde pepflip /B:551

> isolde stepto next

> isolde pepflip /B:552

> isolde stepto prev

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:542

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:219

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:390

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:535

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:501

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> select clear

> isolde sim start /B:382

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:535

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:390

ISOLDE: started sim  

> isolde sim pause

> isolde sim resume

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:421

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:219

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:479,481

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto /A:337

> isolde stepto next

> isolde stepto /A:338

> isolde stepto /A:480

> isolde pepflip /A:480

> isolde stepto next

> isolde stepto prev

> isolde pepflip #!2.2/A:479

> isolde stepto next

> isolde pepflip #!2.2/A:480

> isolde stepto next

> isolde pepflip /A:481

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:480

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:480

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:480

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:506

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:480

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> ui tool show ""Side View""

> isolde sim start /A:480

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:432

ISOLDE: started sim  

> hbonds

1253 hydrogen bonds found  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> ~display hbond

> hide hbond

Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword  

> hide hbonds

> isolde sim start /B:439,441

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:382

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:379-385

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start #!2.2/B:520

ISOLDE: started sim  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:516

ISOLDE: started sim  

Tugging of non-polar hydrogens is not enabled. Applying tug to the nearest
bonded heavy atom.  

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:516

ISOLDE: started sim  

Tugging of non-polar hydrogens is not enabled. Applying tug to the nearest
bonded heavy atom.  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 2 residues in model #2.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /B:382

ISOLDE: started sim  

> select clear

> isolde sim stop discardTo start

Sim termination reason: None  
reverting to start  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:93

ISOLDE: started sim  

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /B:541

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> save ""/Users/pz/Documents/structures/model building/MsbA R497A van open/MsbA
> R497A van open 4.06.pdb"" relModel #2.1.1.1

> close session

> open ""/Users/pz/Documents/structures/not mine/LMNG-closed.pdb""

Chain information for LMNG-closed.pdb #1  
---  
Chain | Description  
A B | No description available  
  

> open ""/Users/pz/Documents/structures/model building/MsbA R497A van
> closed/MsbA-R497A-van-closed-2.79A_J1408.mrc""

Opened MsbA-R497A-van-closed-2.79A_J1408.mrc as #2, grid size 400,400,400,
pixel 0.68, shown at level 0.0137, step 2, values float32  

> volume #2 step 1

> surface dust #2 size 6.8

> lighting simple

> lighting soft

> volume #2 level 0.02632

> select add #1

9020 atoms, 9142 bonds, 19 pseudobonds, 1158 residues, 2 models selected  

> ui mousemode right ""rotate selected models""

> view matrix models
> #1,0.55027,0.83497,-0.0039043,-51.737,-0.82209,0.54095,-0.17757,187.56,-0.14615,0.10092,0.9841,15.922

> view matrix models
> #1,0.51729,0.84619,0.12794,-60.648,-0.85576,0.50978,0.088352,172.13,0.0095418,-0.15519,0.98784,27.8

> view matrix models
> #1,0.90797,0.41817,0.027123,-43.01,-0.41626,0.89259,0.17322,54.941,0.048224,-0.16857,0.98451,24.948

> view matrix models
> #1,0.90215,0.42068,-0.095662,-28.956,-0.41659,0.9071,0.060236,65.913,0.11211,-0.01449,0.99359,-0.88221

> view matrix models
> #1,0.44133,0.89083,-0.1079,-29.475,-0.88527,0.4519,0.10997,180.21,0.14673,0.046989,0.98806,-12.751

> select subtract #1

Nothing selected  

> hide #!1 models

> volume #2 level 0.0339

> vop flip #2

Opened MsbA-R497A-van-closed-2.79A_J1408.mrc z flip as #3, grid size
400,400,400, pixel 0.68, shown at step 1, values float32  

> close #2

> surface dust #3 size 6.8

> show #!1 models

> select add #1

9020 atoms, 9142 bonds, 19 pseudobonds, 1158 residues, 2 models selected  

> view matrix models
> #1,0.087609,0.98419,-0.15392,9.5708,0.99443,-0.095492,-0.044576,27.32,-0.058569,-0.14916,-0.98708,276.49

> view matrix models
> #1,0.17437,0.97251,-0.1543,-0.076924,0.98402,-0.17783,-0.0088091,35.163,-0.036008,-0.1503,-0.98798,273.83

> view matrix models
> #1,0.17546,0.97547,-0.13291,3.5096,0.98384,-0.17863,-0.012216,34.411,-0.035658,-0.12862,-0.99105,285.84

> view matrix models
> #1,0.17546,0.97547,-0.13291,1.5688,0.98384,-0.17863,-0.012216,34.756,-0.035658,-0.12862,-0.99105,283.67

> view matrix models
> #1,0.17985,0.98272,-0.043812,-10.639,0.98311,-0.1811,-0.026481,36.886,-0.033958,-0.038309,-0.99869,272.53

> view matrix models
> #1,0.33235,0.94261,-0.032125,-25.721,0.943,-0.33272,-0.0066497,57.089,-0.016957,-0.028084,-0.99946,269.39

> fitmap #1 inMap #3

Fit molecule LMNG-closed.pdb (#1) to map MsbA-R497A-van-closed-2.79A_J1408.mrc
z flip (#3) using 9020 atoms  
average map value = 0.1008, steps = 104  
shifted from previous position = 3.09  
rotated from previous position = 9.57 degrees  
atoms outside contour = 1737, contour level = 0.033898  
  
Position of LMNG-closed.pdb (#1) relative to MsbA-R497A-van-
closed-2.79A_J1408.mrc z flip (#3) coordinates:  
Matrix rotation and translation  
0.18356215 0.98298161 0.00721784 -17.78647697  
0.98137254 -0.18282840 -0.05900612 38.55300354  
-0.05668231 0.01791467 -0.99823153 265.85391199  
Axis 0.76910697 0.63891754 -0.01608859  
Axis point 0.00000000 22.33851026 133.29861512  
Rotation angle (degrees) 177.13363952  
Shift along axis 6.67527321  
  

> select subtract #1

Nothing selected  

> volume #3 level 0.05158

> hide #!3 models

> select ::name=""AOV""::name=""MG""

66 atoms, 58 bonds, 14 pseudobonds, 4 residues, 2 models selected  

> delete sel

> select add #1

8954 atoms, 9084 bonds, 1154 residues, 1 model selected  

> hide sel atoms

> select clear

> show #!3 models

ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 87 residues in model #1 to IUPAC-IUB
standards.  
Chain information for LMNG-closed.pdb #1.2  
---  
Chain | Description  
A B | No description available  
  

> clipper associate #3 toModel #1

Opened MsbA-R497A-van-closed-2.79A_J1408.mrc z flip as #1.1.1.1, grid size
400,400,400, pixel 0.68, shown at step 1, values float32  

> isolde stepto /A:3

3 models selected  

> isolde stepto next

> isolde stepto prev

> volume #1.1.1.1 level 0.03554

> isolde stepto next

> isolde sim start /A:4

Sim termination reason: None  
ISOLDE: stopped sim  

> addh #1.2

Summary of feedback from adding hydrogens to LMNG-closed.pdb #1.2  
---  
notes | Termini for LMNG-closed.pdb (#1.2) chain A determined from SEQRES records  
Termini for LMNG-closed.pdb (#1.2) chain B determined from SEQRES records  
Chain-initial residues that are actual N termini: /A ASN 3, /B ASN 3  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini: /A GLN 579, /B GLN 579  
Chain-final residues that are not actual C termini:  
Missing OXT added to C-terminal residue /A GLN 579  
Missing OXT added to C-terminal residue /B GLN 579  
1105 hydrogen bonds  
9202 hydrogens added  
  

> isolde sim start /A:3-7

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:12

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:18

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:22

ISOLDE: started sim  

> isolde stepto next

> volume #1.1.1.1 level 0.0296

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:28

ISOLDE: started sim  

> select clear

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:34

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:39

ISOLDE: started sim  

> isolde stepto next

> volume #1.1.1.1 level 0.02237

> isolde stepto next

> isolde stepto prev

> volume #1.1.1.1 level 0.03592

> isolde stepto next

> isolde stepto prev

> isolde pepflip /A:43

Unable to flip peptide bond after 50 rounds. Giving up.  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: stopped sim  

> isolde sim start /A:44

ISOLDE: started sim  

> isolde stepto next

> isolde stepto prev

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:49

ISOLDE: started sim  

> isolde stepto next

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> isolde sim start /A:53

ISOLDE: started sim  

> select clear

> isolde sim stop

Sim termination reason: None  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 1 residues in model #1.2 to IUPAC-IUB
standards.  
ISOLDE: stopped sim  

> close session

> open emdb:27545

Summary of feedback from opening 27545 fetched from emdb  
---  
notes | Fetching compressed map 27545 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-27545/map/emd_27545.map.gz  
Fetching map header 27545 from
ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-27545/header/emd-27545.xml  
  
Opened emdb 27545 as #1, grid size 280,280,280, pixel 1.07, shown at level
0.17, step 2, values float32, fit PDB 8dmo  

> open emdb:27544

Opened emdb 27544 as #2, grid size 200,200,200, pixel 1.07, shown at level
0.14, step 1, values float32, fit PDB 8dmm  

> close #1

> lighting soft

> surface dust #2 size 10.7

> open emdb:44445

Opened emdb 44445 as #1, grid size 270,270,270, pixel 0.832, shown at level
0.04, step 2, values float32, fit PDB 9bd7  

> hide #!1 models

> show #!1 models

> hide #!2 models

> open emdb:44444

Opened emdb 44444 as #3, grid size 270,270,270, pixel 0.832, shown at level
0.04, step 2, values float32, fit PDB 9bd6  

> hide #!1 models

> volume #1 step 1

> volume #3 step 1

> surface dust #3 size 8.32

> volume #3 level 0.03369

> volume #3 level 0.0298

> volume #3 level 0.03175

> show #!1 models

> hide #!3 models

> surface dust #1 size 8.32

> show #!3 models

> hide #!3 models

> show #!3 models

> hide #!1 models

> show #!1 models

> hide #!3 models

> show #!3 models

> hide #!1 models


===== Log before crash end =====

Log:
UCSF ChimeraX version: 1.11.1 (2026-01-23)  
© 2016-2025 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open ""/Users/pz/Downloads/cryosparc_P77_J1566_013_volume_map_sharp (1).mrc""

Opened cryosparc_P77_J1566_013_volume_map_sharp (1).mrc as #1, grid size
400,400,400, pixel 0.68, shown at level 0.0333, step 2, values float32  




OpenGL version: 4.1 Metal - 90.5
OpenGL renderer: Apple M2
OpenGL vendor: Apple

Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.9.1, Qt 6.9.0
Qt runtime version: 6.9.2
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Air
      Model Identifier: Mac14,2
      Model Number: Z15S000JKD/A
      Chip: Apple M2
      Total Number of Cores: 8 (4 Performance and 4 Efficiency)
      Memory: 8 GB
      System Firmware Version: 13822.81.10
      OS Loader Version: 13822.81.10

Software:

    System Software Overview:

      System Version: macOS 26.3.1 (25D2128)
      Kernel Version: Darwin 25.3.0
      Time since boot: 90 days, 9 hours

Graphics/Displays:

    Apple M2:

      Chipset Model: Apple M2
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 8
      Vendor: Apple (0x106b)
      Metal Support: Metal 4
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina Display
          Resolution: 2560 x 1664 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal


Installed Packages:
    aiohappyeyeballs: 2.6.1
    aiohttp: 3.13.1
    aiosignal: 1.4.0
    alabaster: 1.0.0
    annotated-types: 0.7.0
    anyio: 4.12.1
    appdirs: 1.4.4
    appnope: 0.1.4
    asttokens: 3.0.1
    attrs: 25.4.0
    babel: 2.17.0
    beautifulsoup4: 4.13.5
    blockdiag: 3.0.0
    blosc2: 3.12.2
    build: 1.3.0
    certifi: 2025.7.14
    cftime: 1.6.5
    charset-normalizer: 3.4.4
    ChimeraX-AddCharge: 1.5.20
    ChimeraX-AddH: 2.2.8
    ChimeraX-AlignmentAlgorithms: 2.0.2
    ChimeraX-AlignmentHdrs: 3.6.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 3.1.1
    ChimeraX-AlphaFold: 1.0.1
    ChimeraX-AltlocExplorer: 1.2
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Animations: 1.0
    ChimeraX-Aniso: 1.3.2
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.61.4
    ChimeraX-AtomicLibrary: 14.2.1
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    ChimeraX-BasicActions: 1.1.3
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 3.0.0
    ChimeraX-Boltz: 1.1
    ChimeraX-BondRot: 2.0.4
    ChimeraX-BugReporter: 1.0.2
    ChimeraX-BuildStructure: 2.13.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.6.0
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.5
    ChimeraX-ChemGroup: 2.0.2
    ChimeraX-Clashes: 2.3
    ChimeraX-Clipper: 0.26.1
    ChimeraX-ColorActions: 1.0.5
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.8
    ChimeraX-CommandLine: 1.3.0
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.11.1
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.5
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.4
    ChimeraX-Dicom: 1.2.7
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.4
    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: 1.4.1
    ChimeraX-Hbonds: 2.5.3
    ChimeraX-Help: 1.3
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.4
    ChimeraX-ISOLDE: 1.11.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-KVFinder: 1.7.3
    ChimeraX-Label: 1.2
    ChimeraX-ListInfo: 1.2.2
    ChimeraX-Log: 1.2.2
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.9.2
    ChimeraX-Map: 1.3
    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: 2.2.2
    ChimeraX-MCopy: 1.0
    ChimeraX-MCPServer: 0.1.0
    ChimeraX-MDcrds: 2.17.2
    ChimeraX-MedicalToolbar: 1.1
    ChimeraX-Meeting: 1.0.1
    ChimeraX-Minimize: 1.3.2
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.16
    ChimeraX-MMTF: 2.2
    ChimeraX-ModelArchive: 1.0
    ChimeraX-Modeller: 1.5.22
    ChimeraX-ModelPanel: 1.6
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0.3
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0.1
    ChimeraX-MutationScores: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.2
    ChimeraX-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.2
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.15.2
    ChimeraX-OrthoPick: 1.0.1
    ChimeraX-PDB: 2.7.12
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.5
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.4
    ChimeraX-ProfileGrids: 1.4.2
    ChimeraX-PubChem: 2.2
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.6.5
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.3.3
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 4.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.2
    ChimeraX-Scenes: 0.3.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.3
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-Segmentations: 3.5.10
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.17.3
    ChimeraX-Shape: 1.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.2.1
    ChimeraX-ShowSequences: 1.0.3
    ChimeraX-SideView: 1.0.1
    ChimeraX-SimilarStructures: 1.0.1
    ChimeraX-Smiles: 2.1.2
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.19.1
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.2.1
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5.2
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.2.3
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.49.1
    ChimeraX-Umap: 1.0
    ChimeraX-uniprot: 2.3.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDock: 1.5.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-vrml: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.5
    ChimeraX-Zone: 1.0.1
    click: 8.3.1
    colorama: 0.4.6
    comm: 0.2.3
    contourpy: 1.3.3
    coverage: 7.13.1
    cxservices: 1.2.3
    cycler: 0.12.1
    Cython: 3.1.4
    debugpy: 1.8.19
    decorator: 5.2.1
    docutils: 0.21.2
    executing: 2.2.1
    filelock: 3.19.1
    fonttools: 4.61.1
    frozenlist: 1.8.0
    funcparserlib: 2.0.0a0
    glfw: 2.10.0
    grako: 3.16.5
    h11: 0.16.0
    h5py: 3.15.1
    html2text: 2025.4.15
    httpcore: 1.0.9
    httpx: 0.28.1
    httpx-sse: 0.4.3
    idna: 3.11
    ihm: 2.2
    imagecodecs: 2024.6.1
    imagesize: 1.4.1
    iniconfig: 2.3.0
    ipykernel: 6.30.1
    ipython: 9.5.0
    ipython_pygments_lexers: 1.1.1
    ipywidgets: 8.1.8
    jedi: 0.19.2
    Jinja2: 3.1.6
    jsonschema: 4.26.0
    jsonschema-specifications: 2025.9.1
    jupyter_client: 8.6.3
    jupyter_core: 5.9.1
    jupyterlab_widgets: 3.0.16
    kiwisolver: 1.4.9
    line_profiler: 5.0.0
    lxml: 6.0.2
    lz4: 4.3.2
    Markdown: 3.8.2
    MarkupSafe: 3.0.3
    matplotlib: 3.10.7
    matplotlib-inline: 0.2.1
    mcp: 1.18.0
    msgpack: 1.1.1
    multidict: 6.7.0
    ndindex: 1.10.1
    nest-asyncio: 1.6.0
    netCDF4: 1.6.5
    networkx: 3.3
    nibabel: 5.2.0
    nptyping: 2.5.0
    numexpr: 2.14.1
    numpy: 1.26.4
    OpenMM: 8.2.0
    openvr: 1.26.701
    packaging: 25.0
    ParmEd: 4.2.2
    parso: 0.8.5
    pep517: 0.13.1
    pexpect: 4.9.0
    pickleshare: 0.7.5
    pillow: 11.3.0
    pip: 25.2
    pkginfo: 1.12.1.2
    platformdirs: 4.5.1
    pluggy: 1.6.0
    prompt_toolkit: 3.0.52
    propcache: 0.4.1
    psutil: 7.0.0
    ptyprocess: 0.7.0
    pure_eval: 0.2.3
    py-cpuinfo: 9.0.0
    pybind11: 3.0.1
    pycollada: 0.8
    pydantic: 2.12.5
    pydantic-settings: 2.12.0
    pydantic_core: 2.41.5
    pydicom: 2.4.4
    Pygments: 2.18.0
    pynmrstar: 3.3.6
    pynrrd: 1.0.0
    PyOpenGL: 3.1.10
    PyOpenGL-accelerate: 3.1.10
    pyopenxr: 1.1.4501
    pyparsing: 3.3.2
    pyproject_hooks: 1.2.0
    PyQt6-commercial: 6.9.1
    PyQt6-Qt6: 6.9.2
    PyQt6-WebEngine-commercial: 6.9.0
    PyQt6-WebEngine-Qt6: 6.9.2
    PyQt6_sip: 13.10.2
    pytest: 9.0.2
    pytest-cov: 7.0.0
    python-dateutil: 2.9.0.post0
    python-dotenv: 1.2.1
    python-multipart: 0.0.21
    pyzmq: 27.1.0
    qtconsole: 5.7.0
    QtPy: 2.4.3
    qtshim: 1.2
    RandomWords: 0.4.0
    referencing: 0.37.0
    requests: 2.32.5
    roman-numerals: 4.1.0
    roman-numerals-py: 4.1.0
    rpds-py: 0.30.0
    scipy: 1.14.0
    setuptools: 80.9.0
    sfftk-rw: 0.8.1
    six: 1.17.0
    snowballstemmer: 3.0.1
    sortedcontainers: 2.4.0
    soupsieve: 2.8.3
    Sphinx: 8.2.3
    sphinx-autodoc-typehints: 3.2.0
    sphinxcontrib-applehelp: 2.0.0
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 2.0.0
    sphinxcontrib-htmlhelp: 2.1.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 2.0.0
    sphinxcontrib-serializinghtml: 2.0.0
    sse-starlette: 3.2.0
    stack-data: 0.6.3
    starlette: 0.52.1
    superqt: 0.7.6
    tables: 3.10.2
    tcia_utils: 1.5.1
    tifffile: 2025.3.13
    tinyarray: 1.2.5
    tornado: 6.5.4
    traitlets: 5.14.3
    typing-inspection: 0.4.2
    typing_extensions: 4.15.0
    urllib3: 2.6.3
    uvicorn: 0.40.0
    wcwidth: 0.3.2
    webcolors: 24.11.1
    wheel: 0.45.1
    wheel-filename: 1.4.2
    widgetsnbextension: 4.0.15
    yarl: 1.22.0
}}}
"	defect	closed	normal		Graphics		can't reproduce						all	ChimeraX
