Opened 20 months ago
Closed 20 months ago
#14858 closed defect (can't reproduce)
Crash getting secondary structure IDs after deleting residues
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Editing | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: macOS-14.2.1-x86_64-i386-64bit
ChimeraX Version: 1.7.1 (2024-01-23 01:58:08 UTC)
Description
Last time you used ChimeraX it crashed.
Please describe steps that led to the crash here.
I was trying to combine two different versions of the same protein and inadvertently left some duplicate sequences. When I tried to delete one of the duplicate residues, the program crashed. Hope that helped.
Fatal Python error: Segmentation fault
Thread 0x0000000310e4b000 (most recent call first):
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 324 in wait
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 622 in wait
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1392 in run
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 1038 in _bootstrap_inner
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/threading.py", line 995 in _bootstrap
Current thread 0x0000000200afb240 (most recent call first):
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/molc.py", line 208 in get_prop
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/ribbon.py", line 107 in _make_ribbon_graphics
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/ribbon.py", line 600 in compute_ribbons
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 667 in _create_ribbon_graphics
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 357 in update_graphics_if_needed
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/atomic/structure.py", line 1891 in _update_graphics_if_needed
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py", line 149 in invoke
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py", line 248 in _activate
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py", line 217 in activate
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/triggerset.py", line 393 in activate_trigger
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/graphics/view.py", line 294 in check_for_drawing_change
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/updateloop.py", line 76 in draw_new_frame
File "/Applications/ChimeraX-1.7.1.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-1.7.1.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-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 918 in init
File "/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py", line 1069 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.pdb_lib._load_libs, chimerax.map._map, charset_normalizer.md, PIL._imaging, matplotlib._c_internal_utils, matplotlib._path, kiwisolver._cext, matplotlib._image, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, openmm._openmm, openmm.app.internal.compiled, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, 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._isolve._iterative, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, 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.linalg._flinalg, scipy.special._ellip_harm_2, scipy.interpolate._fitpack, scipy.interpolate.dfitpack, scipy.optimize._minpack2, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, numpy.linalg.lapack_lite, 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.__nnls, 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, PIL._imagingmath, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, lxml._elementpath, lxml.etree, chimerax.atom_search.ast, chimerax.chem_group._chem_group, chimerax.coulombic._esp (total: 132)
{"app_name":"ChimeraX","timestamp":"2024-04-01 00:42:24.00 -0700","app_version":"1.7.1","slice_uuid":"194a3167-3db5-3029-8d22-1d742b826bb9","build_version":"1.7.1.0","platform":1,"bundleID":"edu.ucsf.cgl.ChimeraX","share_with_app_devs":1,"is_first_party":0,"bug_type":"309","os_version":"macOS 14.2.1 (23C71)","roots_installed":0,"name":"ChimeraX","incident_id":"36A1E742-67AB-4B5C-8850-BFB9C61F4CCD"}
{
"uptime" : 630000,
"procRole" : "Foreground",
"version" : 2,
"userID" : 502,
"deployVersion" : 210,
"modelCode" : "MacBookPro18,3",
"coalitionID" : 1248,
"osVersion" : {
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"build" : "23C71",
"releaseType" : "User"
},
"captureTime" : "2024-04-01 00:42:20.9494 -0700",
"codeSigningMonitor" : 1,
"incident" : "36A1E742-67AB-4B5C-8850-BFB9C61F4CCD",
"pid" : 21873,
"translated" : true,
"cpuType" : "X86-64",
"roots_installed" : 0,
"bug_type" : "309",
"procLaunch" : "2024-03-29 00:29:11.0360 -0700",
"procStartAbsTime" : 11613163313908,
"procExitAbsTime" : 15272794284039,
"procName" : "ChimeraX",
"procPath" : "\/Applications\/ChimeraX-1.7.1.app\/Contents\/MacOS\/ChimeraX",
"bundleInfo" : {"CFBundleShortVersionString":"1.7.1","CFBundleVersion":"1.7.1.0","CFBundleIdentifier":"edu.ucsf.cgl.ChimeraX"},
"storeInfo" : {"deviceIdentifierForVendor":"A3A24E3E-6232-5DE6-A66A-3508864FEE6F","thirdParty":true},
"parentProc" : "launchd",
"parentPid" : 1,
"coalitionName" : "edu.ucsf.cgl.ChimeraX",
"crashReporterKey" : "D7658540-E066-2866-40CA-0AAADB07EF70",
"lowPowerMode" : 1,
"codeSigningID" : "edu.ucsf.cgl.ChimeraX",
"codeSigningTeamID" : "LWV8X224YF",
"codeSigningFlags" : 570491649,
"codeSigningValidationCategory" : 6,
"codeSigningTrustLevel" : 4294967295,
"wakeTime" : 6001,
"sleepWakeUUID" : "41497BE0-CDC8-438E-983F-1BFF3DFD5BFA",
"sip" : "enabled",
"vmRegionInfo" : "0x210 is not in any region. Bytes before following region: 140722925305328\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n mapped file 7ffc9bf98000-7ffcc49b0000 [650.1M] r-x\/r-x SM=COW ...t_id=3baf4017",
"exception" : {"codes":"0x0000000000000001, 0x0000000000000210","rawCodes":[1,528],"type":"EXC_BAD_ACCESS","signal":"SIGSEGV","subtype":"KERN_INVALID_ADDRESS at 0x0000000000000210"},
"termination" : {"flags":0,"code":11,"namespace":"SIGNAL","indicator":"Segmentation fault: 11","byProc":"ChimeraX","byPid":21873},
"vmregioninfo" : "0x210 is not in any region. Bytes before following region: 140722925305328\n REGION TYPE START - END [ VSIZE] PRT\/MAX SHRMOD REGION DETAIL\n UNUSED SPACE AT START\n---> \n mapped file 7ffc9bf98000-7ffcc49b0000 [650.1M] r-x\/r-x SM=COW ...t_id=3baf4017",
"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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[deleted to fit within ticket limits]
> select /Q:25-46
364 atoms, 368 bonds, 5 pseudobonds, 22 residues, 2 models selected
> show sel atoms
> hide sel cartoons
> style sel sphere
Changed 364 atom styles
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> open /Users/tmckeithan/Downloads/Chimera/PDB/1NVV-REDmod2i.pdb
1NVV-REDmod2i.pdb title:
Structural evidence for feedback activation by rasgtp of the ras- specific
nucleotide exchange factor sos [more info...]
Chain information for 1NVV-REDmod2i.pdb #2
---
Chain | Description | UniProt
Q R | C-H-RAS | RASH_HUMAN 1-166
S | SOS-1 | SOS1_HUMAN 566-1046
Non-standard residues in 1NVV-REDmod2i.pdb #2
---
GTP — (GTP)
MG — magnesium ion
> select clear
> select add #2
13102 atoms, 13235 bonds, 6 pseudobonds, 803 residues, 3 models selected
> select #2/R
2619 atoms, 2638 bonds, 166 residues, 1 model selected
> ui tool show "Show Sequence Viewer"
> sequence chain #2/Q
Alignment identifier is 2/Q
> ui tool show Matchmaker
> matchmaker #2/Q to #1/Q pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH a.pdb, chain Q (#1) with 1NVV-REDmod2i.pdb, chain Q (#2),
sequence alignment score = 748.3
RMSD between 89 pruned atom pairs is 1.332 angstroms; (across all 166 pairs:
3.051)
> select #2/Q
2665 atoms, 2685 bonds, 4 pseudobonds, 168 residues, 2 models selected
> select ~sel & ##selected
10437 atoms, 10550 bonds, 2 pseudobonds, 635 residues, 2 models selected
> delete atoms (#!2 & sel)
> delete bonds (#!2 & sel)
> select #1/Q
2664 atoms, 2684 bonds, 160 pseudobonds, 168 residues, 3 models selected
> hide sel atoms
> hide sel cartoons
> select add #1
11063 atoms, 11188 bonds, 688 pseudobonds, 674 residues, 3 models selected
> select #1/O
8016 atoms, 8115 bonds, 497 pseudobonds, 483 residues, 2 models selected
> select sel : combine #1,2 close true name "RacGEF HH"
Remapping chain ID 'Q' in 1NVV-REDmod2i.pdb #2 to 'R'
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 392, in _items_change
item_names = self._item_names()
^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 47, in _item_names
values = [v for v in self.list_func() if self.filter_func(v)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 47, in
values = [v for v in self.list_func() if self.filter_func(v)]
^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/match_maker/tool.py", line 518, in
filter_func=lambda c, ref=chain: c.structure != ref.structure)
^^^^^^^^^^^^^
AttributeError: 'Sequence' object has no attribute 'structure'
Error processing trigger "add models":
AttributeError: 'Sequence' object has no attribute 'structure'
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/match_maker/tool.py", line 518, in
filter_func=lambda c, ref=chain: c.structure != ref.structure)
^^^^^^^^^^^^^
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 391, in _items_change
prev_value = self.get_value()
^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 350, in get_value
return self.item_map[text]
~~~~~~~~~~~~~^^^^^^
KeyError: '1NVV-REDmod2i.pdb #2/Q'
Error processing trigger "add models":
KeyError: '1NVV-REDmod2i.pdb #2/Q'
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 350, in get_value
return self.item_map[text]
~~~~~~~~~~~~~^^^^^^
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 391, in _items_change
prev_value = self.get_value()
^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 350, in get_value
return self.item_map[text]
~~~~~~~~~~~~~^^^^^^
KeyError: '1NVV-REDmod2i.pdb #2/Q'
Error processing trigger "changes":
KeyError: '1NVV-REDmod2i.pdb #2/Q'
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 350, in get_value
return self.item_map[text]
~~~~~~~~~~~~~^^^^^^
See log for complete Python traceback.
> isolde sim start #1
> set selectionWidth 4
Done loading forcefield
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...
> 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: started sim
> isolde sim pause
> close #1.3
> hide sel atoms
> show sel cartoons
> isolde sim resume
> 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
> close session
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH a.pdb" format pdb
Chain information for RacGEF HH a.pdb #1
---
Chain | Description
A | No description available
O | No description available
Q | No description available
> open /Users/tmckeithan/Downloads/Chimera/PDB/1NVV-REDmod2i.pdb
1NVV-REDmod2i.pdb title:
Structural evidence for feedback activation by rasgtp of the ras- specific
nucleotide exchange factor sos [more info...]
Chain information for 1NVV-REDmod2i.pdb #2
---
Chain | Description | UniProt
Q R | C-H-RAS | RASH_HUMAN 1-166
S | SOS-1 | SOS1_HUMAN 566-1046
Non-standard residues in 1NVV-REDmod2i.pdb #2
---
GTP — (GTP)
MG — magnesium ion
> ui tool show Matchmaker
> matchmaker #2/Q to #1/Q pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH a.pdb, chain Q (#1) with 1NVV-REDmod2i.pdb, chain Q (#2),
sequence alignment score = 748.3
RMSD between 89 pruned atom pairs is 1.332 angstroms; (across all 166 pairs:
3.051)
> select add #2
13102 atoms, 13235 bonds, 6 pseudobonds, 803 residues, 3 models selected
> select subtract #2/Q
10437 atoms, 10550 bonds, 2 pseudobonds, 635 residues, 2 models selected
> delete atoms (#!2 & sel)
> delete bonds (#!2 & sel)
> close #2
> open /Users/tmckeithan/Downloads/Chimera/PDB/1NVV-REDmod2i.pdb
1NVV-REDmod2i.pdb title:
Structural evidence for feedback activation by rasgtp of the ras- specific
nucleotide exchange factor sos [more info...]
Chain information for 1NVV-REDmod2i.pdb #2
---
Chain | Description | UniProt
Q R | C-H-RAS | RASH_HUMAN 1-166
S | SOS-1 | SOS1_HUMAN 566-1046
Non-standard residues in 1NVV-REDmod2i.pdb #2
---
GTP — (GTP)
MG — magnesium ion
> ui tool show "Show Sequence Viewer"
> sequence chain #2/Q
Alignment identifier is 2/Q
> ui tool show "Show Sequence Viewer"
> sequence chain #2/S
Alignment identifier is 2/S
> select #2/S:864
15 atoms, 14 bonds, 1 residue, 1 model selected
> select #2/S:819-864
786 atoms, 791 bonds, 46 residues, 1 model selected
> ui tool show Matchmaker
> matchmaker #2/Q to #1/O pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH a.pdb, chain O (#1) with 1NVV-REDmod2i.pdb, chain Q (#2),
sequence alignment score = 15.7
RMSD between 6 pruned atom pairs is 1.283 angstroms; (across all 97 pairs:
20.094)
> select add #2
13102 atoms, 13235 bonds, 6 pseudobonds, 803 residues, 3 models selected
> select subtract #2/Q
10437 atoms, 10550 bonds, 2 pseudobonds, 635 residues, 2 models selected
> delete atoms (#!2 & sel)
> delete bonds (#!2 & sel)
> ui tool show Matchmaker
> matchmaker #2/Q to #1/Q pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH a.pdb, chain Q (#1) with 1NVV-REDmod2i.pdb, chain Q (#2),
sequence alignment score = 748.3
RMSD between 89 pruned atom pairs is 1.332 angstroms; (across all 166 pairs:
3.051)
> select #1/O
8016 atoms, 8115 bonds, 483 residues, 1 model selected
> select sel : ui tool show Matchmaker
> select up
9852 atoms, 9968 bonds, 596 residues, 2 models selected
> select down
8746 atoms, 8834 bonds, 527 residues, 2 models selected
> matchmaker #2/Q to #1/Q & sel pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH a.pdb, chain Q (#1) with 1NVV-REDmod2i.pdb, chain Q (#2),
sequence alignment score = 112.6
RMSD between 13 pruned atom pairs is 0.874 angstroms; (across all 23 pairs:
4.221)
> select #1/Q
2664 atoms, 2684 bonds, 4 pseudobonds, 168 residues, 2 models selected
> delete atoms (#!1 & sel)
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/triggerset.py", line 149, in invoke
return self._func(self._name, data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 392, in _items_change
item_names = self._item_names()
^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 47, in _item_names
values = [v for v in self.list_func() if self.filter_func(v)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/item_chooser.py", line 47, in
values = [v for v in self.list_func() if self.filter_func(v)]
^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/match_maker/tool.py", line 518, in
filter_func=lambda c, ref=chain: c.structure != ref.structure)
^^^^^^^^^^^^^
AttributeError: 'Sequence' object has no attribute 'structure'
Error processing trigger "changes":
AttributeError: 'Sequence' object has no attribute 'structure'
File
"/Applications/ChimeraX-1.7.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/match_maker/tool.py", line 518, in
filter_func=lambda c, ref=chain: c.structure != ref.structure)
^^^^^^^^^^^^^
See log for complete Python traceback.
> delete bonds (#!1 & sel)
> combine #1,2 close true name "RacGEF HH"
> interfaces #1
3 buried areas: O Q 1374, Q A 927, O A 301
> ui tool show "Show Sequence Viewer"
> sequence chain /A
Alignment identifier is 1/A
> sequence chain /O
Alignment identifier is 1/O
> sequence chain /Q
Alignment identifier is 1/Q
> select /A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A:2-23
364 atoms, 370 bonds, 22 residues, 1 model selected
> select /A
383 atoms, 389 bonds, 23 residues, 1 model selected
> show sel atoms
> hide sel cartoons
> select /Q
2665 atoms, 2685 bonds, 4 pseudobonds, 168 residues, 2 models selected
> show sel atoms
> select clear
> isolde sim start #1
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...
ISOLDE: started sim
> isolde sim pause
> hide #1.3 models
> hide sel atoms
> isolde sim resume
> select /A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A
383 atoms, 389 bonds, 23 residues, 1 model selected
> show sel atoms
> select /Q
2665 atoms, 2685 bonds, 4 pseudobonds, 168 residues, 2 models selected
> show sel atoms
> select clear
> select /A:1
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A:1
19 atoms, 18 bonds, 1 residue, 1 model selected
> ui mousemode right "isolde tug selection"
> 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 #1
ISOLDE: started sim
> select clear
> select /A:11
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /A:11
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /A:10
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /A:8-10
56 atoms, 57 bonds, 3 residues, 1 model selected
> ui mousemode right "isolde tug selection"
> ui mousemode right "isolde tug atom"
> select /A:2
17 atoms, 16 bonds, 1 residue, 1 model selected
> select /A:1-2
36 atoms, 35 bonds, 2 residues, 1 model selected
> select /A:2
17 atoms, 16 bonds, 1 residue, 1 model selected
> select /A:2
17 atoms, 16 bonds, 1 residue, 1 model selected
> ui mousemode right "isolde tug selection"
> select /A:1
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A:1
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A:5
17 atoms, 16 bonds, 1 residue, 1 model selected
> select /A:4-5
34 atoms, 33 bonds, 2 residues, 1 model selected
> select /A:5
17 atoms, 16 bonds, 1 residue, 1 model selected
> select /A:5
17 atoms, 16 bonds, 1 residue, 1 model selected
> ui mousemode right "isolde tug atom"
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A:17-19
60 atoms, 62 bonds, 3 residues, 1 model selected
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> style sel sphere
Changed 24 atom styles
> select sel : 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 /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A:18-19
46 atoms, 47 bonds, 2 residues, 1 model selected
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A
383 atoms, 389 bonds, 23 residues, 1 model selected
> show sel cartoons
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select /A:19
24 atoms, 25 bonds, 1 residue, 1 model selected
> select sel : show sel atoms
> style sel sphere
Changed 227 atom styles
> show sel atoms
> save "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH b.pdb"
> close session
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH b.pdb" format pdb
RacGEF HH b.pdb title:
Structural evidence for feedback activation by rasgtp of the ras- specific
nucleotide exchange factor sos [more info...]
Chain information for RacGEF HH b.pdb #1
---
Chain | Description | UniProt
A | No description available |
O | No description available |
Q | C-H-RAS | RASH_HUMAN 1-166
Non-standard residues in RacGEF HH b.pdb #1
---
GTP — (GTP)
MG — magnesium ion
> interfaces #1
3 buried areas: O Q 1374, Q A 927, O A 301
> ui tool show "Show Sequence Viewer"
> sequence chain /A
Alignment identifier is 1/A
> sequence chain /O
Alignment identifier is 1/O
> sequence chain /Q
Alignment identifier is 1/Q
> show sel atoms
> select clear
> open /Users/tmckeithan/Downloads/Chimera/PDB/2II0.pdb
2II0.pdb title:
Crystal structure of catalytic domain of son of sevenless (rem-CDC25) In the
absence of ras [more info...]
Chain information for 2II0.pdb #2
---
Chain | Description | UniProt
A | SOS-1 | SOS1_HUMAN 564-1049
> select #1/O:819
14 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:819-864
786 atoms, 791 bonds, 46 residues, 1 model selected
> ui tool show Matchmaker
> matchmaker #2/A to #1/O pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH b.pdb, chain O (#1) with 2II0.pdb, chain A (#2), sequence
alignment score = 2403.4
RMSD between 187 pruned atom pairs is 1.261 angstroms; (across all 463 pairs:
4.953)
> ui tool show Matchmaker
> matchmaker #2/A to #1/O & sel pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH b.pdb, chain O (#1) with 2II0.pdb, chain A (#2), sequence
alignment score = 239.8
RMSD between 46 pruned atom pairs is 0.568 angstroms; (across all 46 pairs:
0.568)
> select add #1
11064 atoms, 11189 bonds, 4 pseudobonds, 674 residues, 2 models selected
> select subtract #1
Nothing selected
> hide #!2 models
> show #!2 models
> select #1/Q
2665 atoms, 2685 bonds, 4 pseudobonds, 168 residues, 2 models selected
> select sel : select up
6164 atoms, 6224 bonds, 4 pseudobonds, 456 residues, 3 models selected
> select down
3747 atoms, 3732 bonds, 4 pseudobonds, 262 residues, 3 models selected
> ui tool show Matchmaker
> matchmaker #2/A to #1/O & sel pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH b.pdb, chain O (#1) with 2II0.pdb, chain A (#2), sequence
alignment score = 155.8
RMSD between 18 pruned atom pairs is 0.842 angstroms; (across all 32 pairs:
4.649)
> select clear
> select #1/O:992
15 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:781-992
3522 atoms, 3556 bonds, 212 residues, 1 model selected
> cartoon hide sel
> select #1/O:745
12 atoms, 11 bonds, 1 residue, 1 model selected
> select #1/O:565-745
3046 atoms, 3081 bonds, 181 residues, 1 model selected
> cartoon hide sel
> ui tool show "Show Sequence Viewer"
> sequence chain #2/A
Alignment identifier is 2/A
> select #2/A:994
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:994-1045
426 atoms, 441 bonds, 52 residues, 1 model selected
> hide sel cartoons
> select #2/A:754
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #2/A:754-779
213 atoms, 221 bonds, 26 residues, 1 model selected
> cartoon hide sel
> select #1/O:744
24 atoms, 23 bonds, 1 residue, 1 model selected
> select #1/O:744-745
36 atoms, 35 bonds, 2 residues, 1 model selected
> show sel cartoons
> select #1/O:600
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/O:589-600
183 atoms, 184 bonds, 12 residues, 1 model selected
> cartoon sel
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Alphafold models/SOS1-AF-split.pdb"
Summary of feedback from opening /Users/tmckeithan/Desktop/Cell biology and
also early evolution/Chimera models/Alphafold models/SOS1-AF-split.pdb
---
warning | Ignored bad PDB record found on line 38
DBREF XXXX A 1 176 UNP Q07889 SOS1_HUMAN 1 1333
SOS1-AF-split.pdb title:
Alphafold monomer V2.0 prediction for son of sevenless homolog 1 (Q07889)
[more info...]
Chain information for SOS1-AF-split.pdb #3
---
Chain | Description
A | son of sevenless homolog 1
B | No description available
C | No description available
D | No description available
E | No description available
> select clear
> select add #3
10740 atoms, 11011 bonds, 1333 residues, 1 model selected
> select subtract #3/A
9314 atoms, 9556 bonds, 1157 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:20-23
69 atoms, 68 bonds, 4 residues, 1 model selected
> ui tool show "Show Sequence Viewer"
> sequence chain #3/A
Alignment identifier is 3/A
> matchmaker #3/A to #1/A & sel pairing ss
Parameters
---
Chain pairing | ss
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker RacGEF HH b.pdb, chain A (#1) with SOS1-AF-split.pdb, chain A (#3),
sequence alignment score = 18.1
RMSD between 4 pruned atom pairs is 0.431 angstroms; (across all 4 pairs:
0.431)
> select clear
> hide atoms
> show cartoons
> select #1/O:992
15 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:781-992
3522 atoms, 3556 bonds, 212 residues, 1 model selected
> hide sel cartoons
> select #1/O:743
10 atoms, 9 bonds, 1 residue, 1 model selected
> select #1/O:602-743
2423 atoms, 2451 bonds, 142 residues, 1 model selected
> select #1/O:742-743
29 atoms, 28 bonds, 2 residues, 1 model selected
> select #1/O:601-743
2442 atoms, 2470 bonds, 143 residues, 1 model selected
> hide sel cartoons
> select #1/O:588
20 atoms, 20 bonds, 1 residue, 1 model selected
> select #1/O:565-588
385 atoms, 389 bonds, 24 residues, 1 model selected
> hide sel cartoons
> select #2/A:779
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:754-779
213 atoms, 221 bonds, 26 residues, 1 model selected
> hide sel cartoons
> select #2/A:994
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:994-1045
426 atoms, 441 bonds, 52 residues, 1 model selected
> hide sel cartoons
> select #1/O:993
14 atoms, 13 bonds, 1 residue, 1 model selected
> select #1/O:993
14 atoms, 13 bonds, 1 residue, 1 model selected
> hide sel cartoons
> hide #3 models
> show #3 models
> select #3/A:20
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #3/A:1-20
176 atoms, 182 bonds, 20 residues, 1 model selected
> hide sel cartoons
> select #3/A:22
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:21-22
12 atoms, 11 bonds, 2 residues, 1 model selected
> style sel sphere
Changed 12 atom styles
> show sel atoms
> select #1/A:22
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:21-22
26 atoms, 25 bonds, 2 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 26 atom styles
> style sel sphere
Changed 26 atom styles
> select clear
> select add #3
1426 atoms, 1455 bonds, 176 residues, 1 model selected
> select #3/A:20
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #3/A:2-20
168 atoms, 174 bonds, 19 residues, 1 model selected
> select sel : select sel & #3/A:23-176
51 atoms, 45 bonds, 6 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 51 atom styles
> hide #3 models
> select #2/A:1001
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:1001-1022
191 atoms, 195 bonds, 22 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 191 atom styles
> select #2/A:892
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #2/A:888-892
46 atoms, 47 bonds, 5 residues, 1 model selected
> select #2/A:885
11 atoms, 10 bonds, 1 residue, 1 model selected
> select #2/A:885-894
88 atoms, 90 bonds, 10 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 88 atom styles
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> select #1/O:1013-1014
30 atoms, 29 bonds, 2 residues, 1 model selected
> select #1/O:1014-1022
156 atoms, 157 bonds, 9 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 156 atom styles
> hide sel cartoons
> hide #!1 models
> show #!1 models
> select #1/A:22
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:22
19 atoms, 18 bonds, 1 residue, 1 model selected
> hide sel atoms
> show sel atoms
> select #1/A:21
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/A:18-21
77 atoms, 78 bonds, 4 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 77 atom styles
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:18-23
115 atoms, 116 bonds, 6 residues, 1 model selected
> style sel sphere
Changed 115 atom styles
> show sel atoms
> hide #!1 models
> hide #!2 models
> show #3 models
> select #3/A:19-20
25 atoms, 26 bonds, 2 residues, 1 model selected
> select #3/A:1-20
176 atoms, 182 bonds, 20 residues, 1 model selected
> select #3/A:24
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #3/A:24-176
1230 atoms, 1252 bonds, 153 residues, 1 model selected
> show sel atoms
> select #3/A:22-23
16 atoms, 15 bonds, 2 residues, 1 model selected
> select #3/A:18-23
54 atoms, 55 bonds, 6 residues, 1 model selected
> select #3/A:21
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #3/A:21-23
20 atoms, 19 bonds, 3 residues, 1 model selected
> style sel sphere
Changed 20 atom styles
> show sel atoms
> select #3/A:21
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #3/A:21
4 atoms, 3 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A
383 atoms, 389 bonds, 23 residues, 1 model selected
> select #3/A:22
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:22-176
1246 atoms, 1268 bonds, 155 residues, 1 model selected
> hide sel cartoons
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select intersect backbone
6 atoms, 5 bonds, 1 residue, 1 model selected
> ui tool show "Color Actions"
> color sel black target apf
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> color sel white target apf
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> style #3 stick
Changed 1426 atom styles
> style #3 sphere
Changed 1426 atom styles
> select clear
> select #3/A:22
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:22
8 atoms, 7 bonds, 1 residue, 1 model selected
> show #!2 models
> select #3/A:21-22
12 atoms, 11 bonds, 2 residues, 1 model selected
> select #3/A:1-22
188 atoms, 194 bonds, 22 residues, 1 model selected
> select add #3
1426 atoms, 1455 bonds, 176 residues, 1 model selected
> hide sel atoms
> show sel cartoons
> select #3/A:1
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:1-23
196 atoms, 202 bonds, 23 residues, 1 model selected
> show #!1 models
> hide sel cartoons
> select sel : select intersect #3/A
283 atoms, 283 bonds, 34 residues, 1 model selected
> select sel & #3/A:23-176
95 atoms, 88 bonds, 12 residues, 1 model selected
> show sel atoms
> select #2/A:1022
9 atoms, 8 bonds, 1 residue, 1 model selected
> select #2/A:1018-1022
42 atoms, 43 bonds, 5 residues, 1 model selected
> select clear
> select #2/A:995-1045
418 atoms, 433 bonds, 51 residues, 1 model selected
> hide sel cartoons
> hide sel atoms
> select clear
> select add #3
1426 atoms, 1455 bonds, 176 residues, 1 model selected
> hide #!1 models
> hide #!2 models
> select #3/A:176
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #3/A:24-176
1230 atoms, 1252 bonds, 153 residues, 1 model selected
> show sel atoms
> hide sel cartoons
> show #!2 models
> select #3/A:22
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:1-22
188 atoms, 194 bonds, 22 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select add #3
1238 atoms, 1260 bonds, 154 residues, 1 model selected
> cofr sel
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.29481,-0.2251,-0.92866,316.97,-0.86946,0.33996,-0.35842,353.71,0.39639,0.9131,-0.095495,337.35
> view matrix models
> #3,0.47953,0.28169,-0.83108,325.63,-0.83206,0.44684,-0.32864,355.43,0.27879,0.84911,0.44866,330
> view matrix models
> #3,0.58507,0.76332,-0.27392,328.96,-0.79928,0.48558,-0.35406,356.93,-0.13725,0.42609,0.89421,310.63
> view matrix models
> #3,0.67515,0.62261,-0.39563,332.14,-0.72553,0.4635,-0.5087,360.28,-0.13334,0.63049,0.76466,312.44
> show #!1 models
> hide #!2 models
> hide #!1 models
> show #!1 models
> hide #3 models
> show #!2 models
> show #3 models
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.67515,0.62261,-0.39563,339.6,-0.72553,0.4635,-0.5087,356.48,-0.13334,0.63049,0.76466,328.24
> show sel surfaces
> hide sel atoms
> coulombic sel
The following heavy (non-hydrogen) atoms are missing, which may result in
inaccurate electrostatics:
SOS1-AF-split.pdb #3/A PHE 176 OXT
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for SOS1-AF-split.pdb_A SES surface #3.1: minimum, -14.02,
mean -1.69, maximum 10.51
To also show corresponding color key, enter the above coulombic command and
add key true
> view matrix models
> #3,0.67515,0.62261,-0.39563,339.9,-0.72553,0.4635,-0.5087,353.9,-0.13334,0.63049,0.76466,328.04
> view matrix models
> #3,0.67515,0.62261,-0.39563,339.95,-0.72553,0.4635,-0.5087,353.1,-0.13334,0.63049,0.76466,327.7
> view matrix models
> #3,0.67515,0.62261,-0.39563,339.07,-0.72553,0.4635,-0.5087,353.26,-0.13334,0.63049,0.76466,328.1
> view matrix models
> #3,0.67515,0.62261,-0.39563,339.58,-0.72553,0.4635,-0.5087,351.91,-0.13334,0.63049,0.76466,330.33
> select add #3
1238 atoms, 1260 bonds, 154 residues, 3 models selected
> view matrix models
> #3,0.67515,0.62261,-0.39563,330.17,-0.72553,0.4635,-0.5087,354.42,-0.13334,0.63049,0.76466,333.14
> hide sel surfaces
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> select clear
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:21-23
45 atoms, 44 bonds, 3 residues, 1 model selected
> show sel atoms
> hide sel cartoons
> select add #3
1283 atoms, 1304 bonds, 157 residues, 3 models selected
> show sel cartoons
> show sel atoms
> view matrix models
> #1,1,0,0,-4.1424,0,1,0,0.6663,0,0,1,2.2396,#3,0.67515,0.62261,-0.39563,326.03,-0.72553,0.4635,-0.5087,355.08,-0.13334,0.63049,0.76466,335.38
> undo
> select clear
> select add #3
1238 atoms, 1260 bonds, 154 residues, 2 models selected
> view matrix models
> #3,0.67515,0.62261,-0.39563,331.15,-0.72553,0.4635,-0.5087,360.35,-0.13334,0.63049,0.76466,334.44
> view matrix models
> #3,0.67515,0.62261,-0.39563,330.95,-0.72553,0.4635,-0.5087,360.05,-0.13334,0.63049,0.76466,334.46
> show sel cartoons
> hide sel cartoons
> show sel cartoons
> hide sel atoms
> select add #1
12302 atoms, 12449 bonds, 4 pseudobonds, 828 residues, 5 models selected
> show sel cartoons
> hide sel atoms
> select clear
> select #2/A:994-1045
426 atoms, 441 bonds, 52 residues, 1 model selected
> select #1/O:948-993
796 atoms, 802 bonds, 46 residues, 1 model selected
> select #1/O:781-993
3536 atoms, 3570 bonds, 213 residues, 1 model selected
> hide sel cartoons
> select
16391 atoms, 16384 bonds, 6 pseudobonds, 1538 residues, 6 models selected
> hide sel atoms
> select #1/O:1017
15 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:1017-1022
103 atoms, 104 bonds, 6 residues, 1 model selected
> show sel atoms
> hide sel cartoons
> select clear
> select add #3
1238 atoms, 1260 bonds, 154 residues, 2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.58003,0.65564,-0.48342,327.96,-0.8113,0.41165,-0.41514,356.23,-0.073184,0.633,0.77069,336.67
> view matrix models
> #3,0.045811,0.84055,-0.5398,309.55,-0.99622,0.078348,0.037453,345.75,0.073773,0.53604,0.84096,341.26
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.045811,0.84055,-0.5398,309.17,-0.99622,0.078348,0.037453,345.14,0.073773,0.53604,0.84096,341.47
> view matrix models
> #3,0.045811,0.84055,-0.5398,308.93,-0.99622,0.078348,0.037453,344.67,0.073773,0.53604,0.84096,341.81
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #3/A:23
8 atoms, 7 bonds, 1 residue, 1 model selected
> show sel atoms
> view matrix models
> #3,0.045811,0.84055,-0.5398,308.66,-0.99622,0.078348,0.037453,343.86,0.073773,0.53604,0.84096,342.12
> view matrix models
> #3,0.045811,0.84055,-0.5398,308.66,-0.99622,0.078348,0.037453,342.46,0.073773,0.53604,0.84096,342.35
> view matrix models
> #3,0.045811,0.84055,-0.5398,309.52,-0.99622,0.078348,0.037453,343.17,0.073773,0.53604,0.84096,344.02
> view matrix models
> #3,0.045811,0.84055,-0.5398,309.8,-0.99622,0.078348,0.037453,342.8,0.073773,0.53604,0.84096,344.27
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.11828,0.85805,-0.49976,312.42,-0.99107,0.13325,-0.0057718,343.47,0.061639,0.49597,0.86615,343.5
> ui mousemode right "translate selected models"
> view matrix models
> #3,0.11828,0.85805,-0.49976,313.63,-0.99107,0.13325,-0.0057718,342.58,0.061639,0.49597,0.86615,343.3
> view matrix models
> #3,0.11828,0.85805,-0.49976,314.29,-0.99107,0.13325,-0.0057718,342.17,0.061639,0.49597,0.86615,343.01
> view matrix models
> #3,0.11828,0.85805,-0.49976,316.21,-0.99107,0.13325,-0.0057718,342.28,0.061639,0.49597,0.86615,343.05
> view matrix models
> #3,0.11828,0.85805,-0.49976,316.91,-0.99107,0.13325,-0.0057718,341.04,0.061639,0.49597,0.86615,343.26
> view matrix models
> #3,0.11828,0.85805,-0.49976,318.1,-0.99107,0.13325,-0.0057718,340.62,0.061639,0.49597,0.86615,342.75
> select #1/O
8016 atoms, 8115 bonds, 483 residues, 1 model selected
> select #1/Q
2665 atoms, 2685 bonds, 4 pseudobonds, 168 residues, 2 models selected
> show sel atoms
> style sel sphere
Changed 2665 atom styles
> hide sel cartoons
> select #3/A
1238 atoms, 1260 bonds, 154 residues, 1 model selected
> show sel atoms
> hide sel cartoons
> hide sel atoms
> show sel cartoons
> select #3/A:176
11 atoms, 11 bonds, 1 residue, 1 model selected
> select #3/A:175-176
19 atoms, 19 bonds, 2 residues, 1 model selected
> view matrix models
> #3,0.11828,0.85805,-0.49976,319.85,-0.99107,0.13325,-0.0057718,338.86,0.061639,0.49597,0.86615,342.67
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> select add #3
1238 atoms, 1260 bonds, 154 residues, 3 models selected
> show sel atoms
> hide sel atoms
> view matrix models
> #3,0.11828,0.85805,-0.49976,320.65,-0.99107,0.13325,-0.0057718,338.68,0.061639,0.49597,0.86615,342.16
> view matrix models
> #3,0.11828,0.85805,-0.49976,321.27,-0.99107,0.13325,-0.0057718,339.09,0.061639,0.49597,0.86615,342.74
> ui mousemode right "rotate selected models"
> view matrix models
> #3,0.052168,0.85403,-0.51759,318.87,-0.99733,0.071036,0.016689,338.41,0.051021,0.51534,0.85546,342.5
> view matrix models
> #3,-0.090191,0.84598,-0.52554,313.61,-0.98965,-0.017003,0.14247,337.71,0.11159,0.53295,0.83876,344.9
> ui mousemode right "translate selected models"
> view matrix models
> #3,-0.090191,0.84598,-0.52554,309.52,-0.98965,-0.017003,0.14247,335.27,0.11159,0.53295,0.83876,345.14
> view matrix models
> #3,-0.090191,0.84598,-0.52554,311.1,-0.98965,-0.017003,0.14247,335.55,0.11159,0.53295,0.83876,346.95
> view matrix models
> #3,-0.090191,0.84598,-0.52554,312.72,-0.98965,-0.017003,0.14247,334.56,0.11159,0.53295,0.83876,346.93
> show sel atoms
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A
383 atoms, 389 bonds, 23 residues, 1 model selected
> show sel atoms
> style sel sphere
Changed 383 atom styles
> select clear
> select #3/A:85@CZ2
1 atom, 1 residue, 1 model selected
> ui mousemode right "rotate selected models"
> view matrix models
> #3,-0.092137,0.84689,-0.52373,312.65,-0.99282,-0.037807,0.11353,334.49,0.076343,0.53043,0.84429,345.61
> undo
> view matrix models
> #3,-0.15846,0.85265,-0.49788,310.15,-0.98035,-0.075867,0.18209,334.4,0.11749,0.51695,0.84792,347.01
> roll x -90 1
> select clear
> select add #2
4089 atoms, 3935 bonds, 2 pseudobonds, 710 residues, 2 models selected
> show sel atoms
> save "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH c.pdb"
> combine #1-3 name working
Remapping chain ID 'A' in 2II0.pdb #2 to 'B'
Remapping chain ID 'A' in SOS1-AF-split.pdb #3 to 'C'
> save "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH c.pdb" models #4
> close #4
> save "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH c.cxs"
> select clear
> select add #3
1238 atoms, 1260 bonds, 154 residues, 2 models selected
> show sel cartoons
> hide sel atoms
> select clear
> select #2/A:994
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:994-1045
426 atoms, 441 bonds, 52 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #2/A:779
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:754-779
213 atoms, 221 bonds, 26 residues, 1 model selected
> cartoon hide sel
> hide sel target a
> select clear
> select #1/A
383 atoms, 389 bonds, 23 residues, 1 model selected
> select #3/A
1238 atoms, 1260 bonds, 154 residues, 1 model selected
> show sel atoms
> close session
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF working1g.pdb" format pdb
Chain information for RacGEF working1g.pdb #1
---
Chain | Description
A | No description available
C F H I J L M N | No description available
D | No description available
E | No description available
G | No description available
K | No description available
O | No description available
Q | No description available
R | No description available
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> select P
25 atoms, 12 residues, 1 model selected
> select sel : select intersect O
126 atoms, 14 residues, 1 model selected
> ui tool show "Color Actions"
> color sel red target apf
> select /C:325@CG
1 atom, 1 residue, 1 model selected
> close session
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF working1h.cxs" format session
opened ChimeraX session
> close session
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF working1i.pdb"
Chain information for RacGEF working1i.pdb #1
---
Chain | Description
C D F H I J L M | No description available
E | No description available
G | No description available
K | No description available
O | No description available
Q | No description available
R | No description available
> color N cornflowerblue atoms
> color O hotpink atoms
> color :arg,hic,his,lys & sidechain & N blue atoms
> color :asp,glu & sidechain & O red atoms
> color S yellow atoms
> color P purple atoms
> hide H atoms
> ui tool show "Show Sequence Viewer"
> sequence chain /R
Alignment identifier is 1/R
> sequence chain /O
Alignment identifier is 1/O
> sequence chain /Q
Alignment identifier is 1/Q
> select /R:176
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /R:176-200
371 atoms, 373 bonds, 25 residues, 1 model selected
> isolde sim start /R
> set selectionWidth 4
Done loading forcefield
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...
Chain information for RacGEF working1i.pdb
---
Chain | Description
1.2/C 1.2/D 1.2/F 1.2/H 1.2/I 1.2/J 1.2/L 1.2/M | No description available
1.2/E | No description available
1.2/G | No description available
1.2/K | No description available
1.2/O | No description available
1.2/Q | No description available
1.2/R | No description available
> 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: started sim
> isolde sim pause
> select clear
> select /R:176
20 atoms, 20 bonds, 1 residue, 1 model selected
> select /R:176-200
371 atoms, 373 bonds, 25 residues, 1 model selected
> ui mousemode right "isolde tug selection"
> isolde sim resume
> select clear
> isolde sim pause
> select /R:176-177
37 atoms, 38 bonds, 2 residues, 1 model selected
> select /R:176-199
357 atoms, 359 bonds, 24 residues, 1 model selected
> select sel : ui tool show "Show Sequence Viewer"
> sequence chain /E
Alignment identifier is 1.2/E
> sequence chain /F
Alignment identifier is 1.2/F
> sequence chain /G
Alignment identifier is 1.2/G
> select /G:32
21 atoms, 21 bonds, 1 residue, 1 model selected
> select /G:31-32
36 atoms, 36 bonds, 2 residues, 1 model selected
> select sel : interfaces #1
28 buried areas: R O 2460, R G 2313, F K 1867, C J 1315, F D 1285, F M 1219, C
H 1216, R Q 1210, H L 1210, O Q 1179, I D 1131, F C 766, O K 746, D K 672, F J
587, C D 585, O D 534, H D 533, J M 525, O E 525, O F 495, H I 491, C K 438, F
E 433, R D 366, I L 355, E K 348, C E 331
> ui tool show "Show Sequence Viewer"
> sequence chain /O
Alignment identifier is 1.2/O
> select /O:1046
24 atoms, 23 bonds, 1 residue, 1 model selected
> select /O:1024-1046
392 atoms, 400 bonds, 23 residues, 1 model selected
> show sel atoms
> close session
Sim termination reason: model deleted
ISOLDE: model deleted during running simulation.
> open "/Users/tmckeithan/Desktop/Cell biology and also early
> evolution/Chimera models/Working models/RacGEF HH c.cxs" format session
opened ChimeraX session
> select ::name="HOH"
247 atoms, 247 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #2/A:600
8 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:597-600
27 atoms, 27 bonds, 4 residues, 1 model selected
> select #2/A:599
7 atoms, 7 bonds, 1 residue, 1 model selected
> select #2/A:597-599
19 atoms, 19 bonds, 3 residues, 1 model selected
> select clear
> select #1/O:588-589
35 atoms, 35 bonds, 2 residues, 1 model selected
> select #1/O:565-589
400 atoms, 404 bonds, 25 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #1/O:597
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #1/O:597-743
2501 atoms, 2530 bonds, 147 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #1/O:781
14 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:781-872
1520 atoms, 1531 bonds, 92 residues, 1 model selected
> select #1/O:781
14 atoms, 14 bonds, 1 residue, 1 model selected
> select #1/O:781-992
3522 atoms, 3556 bonds, 212 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #2/A:780
10 atoms, 10 bonds, 1 residue, 1 model selected
> select #2/A:754-780
223 atoms, 232 bonds, 27 residues, 1 model selected
> delete atoms sel
> delete bonds sel
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select #1/A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select
9498 atoms, 9656 bonds, 8 pseudobonds, 880 residues, 7 models selected
> show sel cartoons
> hide sel atoms
> select clear
> combine #1,2,3 close true name HHc
Remapping chain ID 'A' in 2II0.pdb #2 to 'B'
Remapping chain ID 'A' in SOS1-AF-split.pdb #3 to 'C'
> ui tool show "Show Sequence Viewer"
> sequence chain /A
Alignment identifier is 1/A
> sequence chain /B
Alignment identifier is 1/B
> sequence chain /C
Alignment identifier is 1/C
> sequence chain /O
Alignment identifier is 1/O
> select /A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> select /A:23
19 atoms, 18 bonds, 1 residue, 1 model selected
> delete atoms sel
> delete bonds sel
> select /A:22@C/C:23@N
2 atoms, 2 residues, 1 model selected
> ui tool show "Build Structure"
> bond sel reasonable false
Created 1 bond
> select /A:22@C/A:23@N
2 atoms, 1 bond, 2 residues, 1 model selected
> select /B:589@C/O:590@N
2 atoms, 2 residues, 1 model selected
> bond sel reasonable false
Created 1 bond
> bond sel reasonable false
Created 0 bonds
> select /B:589@C/:590@N
Expected an objects specifier or a keyword
> select /B:589@C/B:590@N
2 atoms, 1 bond, 2 residues, 1 model selected
> select /B:596@C/B:597@N
2 atoms, 2 residues, 1 model selected
> bond sel reasonable false
Created 1 bond
> select /B:596@C/B:597@N
2 atoms, 1 bond, 2 residues, 1 model selected
> select /B:743@C/B:744@N
2 atoms, 2 residues, 1 model selected
> bond sel reasonable false
Created 1 bond
> select /B:743@C/B:744@N
2 atoms, 1 bond, 2 residues, 1 model selected
> select /B:780@C/B:781@N
2 atoms, 2 residues, 1 model selected
> select /B:780@C/B:781@N
2 atoms, 2 residues, 1 model selected
> bond sel reasonable false
Created 1 bond
> select /B:780@C/B:781@N
2 atoms, 1 bond, 2 residues, 1 model selected
> select /B:993-994
49 atoms, 47 bonds, 4 residues, 1 model selected
> select /B:993-1045
1304 atoms, 1334 bonds, 106 residues, 1 model selected
> select /B:993
22 atoms, 20 bonds, 2 residues, 1 model selected
> select /B:993
22 atoms, 20 bonds, 2 residues, 1 model selected
> delete atoms sel
> delete bonds sel
===== Log before crash end =====
Log:
Startup Messages
---
warning | Replacing fetcher for 'pdb_nmr' and format NMRSTAR from NMRSTAR
bundle with that from NMRSTAR bundle
UCSF ChimeraX version: 1.7.1 (2024-01-23)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple
Python: 3.11.2
Locale: UTF-8
Qt version: PyQt6 6.3.1, Qt 6.3.1
Qt runtime version: 6.3.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro18,3
Model Number: MKGQ3LL/A
Chip: Unknown
Total Number of Cores: 10 (8 performance and 2 efficiency)
Memory: 16 GB
System Firmware Version: 10151.61.4
OS Loader Version: 10151.61.4
Software:
System Software Overview:
System Version: macOS 14.2.1 (23C71)
Kernel Version: Darwin 23.2.0
Time since boot: 12 days, 9 hours, 2 minutes
Graphics/Displays:
Apple M1 Pro:
Chipset Model: Apple M1 Pro
Type: GPU
Bus: Built-In
Total Number of Cores: 16
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3024 x 1964 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
appnope: 0.1.3
asttokens: 2.4.1
Babel: 2.14.0
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: 1.6.3
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.13
ChimeraX-AddH: 2.2.5
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.4.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.2
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.49.1
ChimeraX-AtomicLibrary: 12.1.5
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.10.5
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.3.2
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-Clipper: 0.22.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.5
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.7.1
ChimeraX-CoreFormats: 1.2
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: 1.1.3
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ISOLDE: 1.7.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-Label: 1.1.8
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.1.4
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.1.2
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.6.1
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.14
ChimeraX-ModelPanel: 1.4
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.1
ChimeraX-NRRD: 1.1
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.1
ChimeraX-PDB: 2.7.3
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.2
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.2
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.11
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.2
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.12.4
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.2
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.33.3
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.3.2
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: 1.1.3
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.1
contourpy: 1.2.0
cxservices: 1.2.2
cycler: 0.12.1
Cython: 0.29.33
debugpy: 1.8.0
decorator: 5.1.1
docutils: 0.19
executing: 2.0.1
filelock: 3.9.0
fonttools: 4.47.2
funcparserlib: 2.0.0a0
glfw: 2.6.4
grako: 3.16.5
h5py: 3.10.0
html2text: 2020.1.16
idna: 3.6
ihm: 0.38
imagecodecs: 2023.9.18
imagesize: 1.4.1
ipykernel: 6.23.2
ipython: 8.14.0
ipython-genutils: 0.2.0
ipywidgets: 8.1.1
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.2.0
jupyter-core: 5.7.1
jupyterlab-widgets: 3.0.9
kiwisolver: 1.4.5
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.4
matplotlib: 3.7.2
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.6.0
netCDF4: 1.6.2
networkx: 3.1
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.8
numpy: 1.25.1
openvr: 1.23.701
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.2.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 4.1.0
prompt-toolkit: 3.0.43
psutil: 5.9.5
ptyprocess: 0.7.0
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.16.1
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.2801
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.3.1
PyQt6-Qt6: 6.3.2
PyQt6-sip: 13.4.0
PyQt6-WebEngine-commercial: 6.3.1
PyQt6-WebEngine-Qt6: 6.3.2
python-dateutil: 2.8.2
pytz: 2023.3.post1
pyzmq: 25.1.2
qtconsole: 5.4.3
QtPy: 2.4.1
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: 2.5
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.8
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.6
sphinxcontrib-htmlhelp: 2.0.5
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.7
sphinxcontrib-serializinghtml: 1.1.10
stack-data: 0.6.3
superqt: 0.5.0
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2023.7.18
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4
traitlets: 5.9.0
typing-extensions: 4.9.0
tzdata: 2023.4
urllib3: 2.1.0
wcwidth: 0.2.13
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.9
Change History (2)
comment:1 by , 20 months ago
| Component: | Unassigned → Structure Editing |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Crash getting secondary structure IDs after deleting residues |
comment:2 by , 20 months ago
| Resolution: | → can't reproduce |
|---|---|
| Status: | accepted → closed |
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--Eric