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#9794 closed defect (can't reproduce)

Maestro: KeyError: 'i_m_residue_number'

Reported by:	chimerax-bug-report@…	Owned by:	pett
Priority:	normal	Milestone:
Component:	Surface/Binding Analysis	Version:
Keywords:		Cc:
Blocked By:		Blocking:
Notify when closed:		Platform:	all
Project:	ChimeraX

Description

The following bug report has been submitted:
Platform:        Linux-3.10.0-1160.92.1.el7.x86_64-x86_64-with-glibc2.17
ChimeraX Version: 1.3 (2021-12-08 23:08:33 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.3 (2021-12-08)  
© 2016-2021 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

Error installing 'ChimeraX-XMAS==1.1.2'  

Looking in indexes: https://pypi.org/simple,
https://cxtoolshed.rbvi.ucsf.edu/pypi/  
Requirement already satisfied: ChimeraX-ArtiaX==0.3 in
./.local/share/ChimeraX/1.3/site-packages (0.3)  
Requirement already satisfied: ChimeraX-Clipper==0.17.0 in
./.local/share/ChimeraX/1.3/site-packages (0.17.0)  
Requirement already satisfied: ChimeraX-Cytoscape==0.1 in
./.local/share/ChimeraX/1.3/site-packages (0.1)  
Requirement already satisfied: ChimeraX-DevelExtras==0.4.1 in
./.local/share/ChimeraX/1.3/site-packages (0.4.1)  
Requirement already satisfied: ChimeraX-HKCage==1.3 in
./.local/share/ChimeraX/1.3/site-packages (1.3)  
Requirement already satisfied: ChimeraX-ISOLDE==1.3 in
./.local/share/ChimeraX/1.3/site-packages (1.3)  
Requirement already satisfied: MolecularDynamicsViewer==1.4 in
./.local/share/ChimeraX/1.3/site-packages (1.4)  
Requirement already satisfied: ChimeraX-NIHPresets==1.1.12 in
./.local/share/ChimeraX/1.3/site-packages (1.1.12)  
Requirement already satisfied: ChimeraX-PDBImages==1.1 in
./.local/share/ChimeraX/1.3/site-packages (1.1)  
Requirement already satisfied: ChimeraX-PICKLUSTER==0.1 in
./.local/share/ChimeraX/1.3/site-packages (0.1)  
Requirement already satisfied: ChimeraX-RIBFIND==0.2 in
./.local/share/ChimeraX/1.3/site-packages (0.2)  
Requirement already satisfied: ChimeraX-RMF==0.14 in
./.local/share/ChimeraX/1.3/site-packages (0.14)  
Requirement already satisfied: SEQCROW==1.8.1 in
./.local/share/ChimeraX/1.3/site-packages (1.8.1)  
Requirement already satisfied: ChimeraX-StrudelScore==0.2 in
./.local/share/ChimeraX/1.3/site-packages (0.2)  
Requirement already satisfied: ChimeraX-TestManager==0.3 in
./.local/share/ChimeraX/1.3/site-packages (0.3)  
Requirement already satisfied: ChimeraX-XMAS==1.1.2 in
./.local/share/ChimeraX/1.3/site-packages (1.1.2)  
Requirement already satisfied: ChimeraX-Markers~=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.0)  
Requirement already satisfied: ChimeraX-Atomic>=1.1 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.31)  
Collecting superqt  
Downloading superqt-0.5.4-py3-none-any.whl (71 kB)  
Collecting geomdl  
Downloading geomdl-5.3.1-py2.py3-none-any.whl (147 kB)  
Requirement already satisfied: ChimeraX-Log>=1.1.4 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.1.4)  
Requirement already satisfied: ChimeraX-MouseModes~=1.1 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.1)  
Requirement already satisfied: ChimeraX-Core>=1.3 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.3)  
Requirement already satisfied: ChimeraX-BILD~=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.0)  
Requirement already satisfied: ChimeraX-Map~=1.1 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.1)  
Requirement already satisfied: ChimeraX-OpenCommand>=1.7 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.7)  
Collecting starfile  
Downloading starfile-0.4.12-py3-none-any.whl (28 kB)  
Requirement already satisfied: ChimeraX-Graphics~=1.1 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.1)  
Requirement already satisfied: ChimeraX-UI>=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.13.7)  
Requirement already satisfied: ChimeraX-IMOD~=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.0)  
Requirement already satisfied: ChimeraX-SaveCommand>=1.5 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.5)  
Requirement already satisfied: ChimeraX-ModelPanel>=1.2.1 in
/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-packages (from ChimeraX-
ArtiaX==0.3) (1.2.1)  
Requirement already satisfied: ChimeraX-MapData~=2.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (2.0)  
Requirement already satisfied: ChimeraX-Geometry>=1.1 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-ArtiaX==0.3) (1.1)  
Requirement already satisfied: ChimeraX-Arrays~=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-Clipper==0.17.0) (1.0)  
Requirement already satisfied: ChimeraX-AtomicLibrary~=4.2 in
/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-packages (from ChimeraX-
Clipper==0.17.0) (4.2)  
Requirement already satisfied: ChimeraX-PresetMgr~=1.0 in /usr/libexec/UCSF-
ChimeraX/lib/python3.9/site-packages (from ChimeraX-NIHPresets==1.1.12)
(1.0.1)  
Collecting ChimeraX-NIHPresets==1.1.12  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxnihpresets/releases/1.1.12/ChimeraX_NIHPresets-1.1.12-py3-none-
any.whl (7.6 kB)  
INFO: pip is looking at multiple versions of moleculardynamicsviewer to
determine which version is compatible with other requirements. This could take
a while.  
Collecting MolecularDynamicsViewer==1.4  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/moleculardynamicsviewer/releases/1.4/MolecularDynamicsViewer-1.4-py3-none-
any.whl (6.4 kB)  
INFO: pip is looking at multiple versions of <Python from Requires-Python> to
determine which version is compatible with other requirements. This could take
a while.  
INFO: pip is looking at multiple versions of chimerax-isolde to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-ISOLDE==1.3  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxisolde/releases/1.3/ChimeraX_ISOLDE-1.3-cp39-cp39-manylinux_2_17_x86_64.whl
(90.4 MB)  
INFO: pip is looking at multiple versions of chimerax-hkcage to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-HKCage==1.3  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxhkcage/releases/1.3/ChimeraX_HKCage-1.3-py3-none-
any.whl (8.4 kB)  
INFO: pip is looking at multiple versions of moleculardynamicsviewer to
determine which version is compatible with other requirements. This could take
a while.  
INFO: pip is looking at multiple versions of chimerax-develextras to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-DevelExtras==0.4.1  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxdevelextras/releases/0.4.1/ChimeraX_DevelExtras-0.4.1-py3-none-
any.whl (24 kB)  
INFO: This is taking longer than usual. You might need to provide the
dependency resolver with stricter constraints to reduce runtime. If you want
to abort this run, you can press Ctrl + C to do so. To improve how pip
performs, tell us what happened here: https://pip.pypa.io/surveys/backtracking  
INFO: pip is looking at multiple versions of chimerax-isolde to determine
which version is compatible with other requirements. This could take a while.  
INFO: pip is looking at multiple versions of chimerax-cytoscape to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-Cytoscape==0.1  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxcytoscape/releases/0.1/ChimeraX_Cytoscape-0.1-py3-none-
any.whl (6.0 kB)  
INFO: This is taking longer than usual. You might need to provide the
dependency resolver with stricter constraints to reduce runtime. If you want
to abort this run, you can press Ctrl + C to do so. To improve how pip
performs, tell us what happened here: https://pip.pypa.io/surveys/backtracking  
INFO: pip is looking at multiple versions of chimerax-hkcage to determine
which version is compatible with other requirements. This could take a while.  
INFO: pip is looking at multiple versions of chimerax-clipper to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-Clipper==0.17.0  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxclipper/releases/0.17.0/ChimeraX_Clipper-0.17.0-cp39-cp39-manylinux_2_17_x86_64.whl
(44.5 MB)  
INFO: This is taking longer than usual. You might need to provide the
dependency resolver with stricter constraints to reduce runtime. If you want
to abort this run, you can press Ctrl + C to do so. To improve how pip
performs, tell us what happened here: https://pip.pypa.io/surveys/backtracking  
INFO: pip is looking at multiple versions of chimerax-develextras to determine
which version is compatible with other requirements. This could take a while.  
INFO: pip is looking at multiple versions of chimerax-artiax to determine
which version is compatible with other requirements. This could take a while.  
Collecting ChimeraX-ArtiaX==0.3  
Using cached
https://cxtoolshed.rbvi.ucsf.edu/media/chimeraxartiax/releases/0.3/ChimeraX_ArtiaX-0.3-py3-none-
any.whl (1.3 MB)  
INFO: This is taking longer than usual. You might need to provide the
dependency resolver with stricter constraints to reduce runtime. If you want
to abort this run, you can press Ctrl + C to do so. To improve how pip
performs, tell us what happened here: https://pip.pypa.io/surveys/backtracking  
INFO: pip is looking at multiple versions of chimerax-cytoscape to determine
which version is compatible with other requirements. This could take a while.  
  
The conflict is caused by:  
chimerax-nihpresets 1.1.12 depends on ChimeraX-Struts>=1.0.1 and ~=1.0  
chimerax-nihpresets 1.1.12 depends on ChimeraX-Struts>=1.0.1 and ~=1.0  
  
To fix this you could try to:  
1\. loosen the range of package versions you've specified  
2\. remove package versions to allow pip attempt to solve the dependency
conflict  
  
  

ERROR: Cannot install chimerax-nihpresets==1.1.12 because these package
versions have conflicting dependencies.  
ERROR: ResolutionImpossible: for help visit
https://pip.pypa.io/en/latest/user_guide/#fixing-conflicting-dependencies  
WARNING: You are using pip version 21.2.4; however, version 23.2.1 is
available.  
You should consider upgrading via the '/usr/bin/chimerax -m pip install
--upgrade pip' command.  
  

> open /home/atslab-3/JOBS/G16/precomplex_pen_urotropine.log

Opened precomplex_pen_urotropine.log as a Gaussian output file  

> ui tool show "IR Spectrum"

> preset "overall look" publication

Preset expands to these ChimeraX commands:

    
    
    set bg white
    graphics silhouettes t

  

> style ball

Changed 25 atom styles  

> show target ab

> style sphere

Changed 25 atom styles  

> style ball

Changed 25 atom styles  

> select H

14 atoms, 1 residue, 1 model selected  

> style sel sphere

Changed 14 atom styles  

> select clear

> style stick

Changed 25 atom styles  

> style ball

Changed 25 atom styles  

> style ball

Changed 25 atom styles  

> style ball

Changed 25 atom styles  

> select H

14 atoms, 1 residue, 1 model selected  

> style sel sphere

Changed 14 atom styles  

> select clear

> open /home/atslab-3/JOBS/rxn_interpolation_3/rxn_interpolation_3.maegz

Traceback (most recent call last):  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/dialog.py", line 155, in _qt_safe  
run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + (""  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/run.py", line 36, in run  
results = command.run(text, log=log, return_json=return_json)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2856, in run  
result = ci.function(session, **kw_args)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 118, in cmd_open  
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2856, in run  
result = ci.function(session, **kw_args)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 181, in provider_open  
models, status = collated_open(session, None, [data], data_format,
_add_models,  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 432, in collated_open  
return remember_data_format()  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 403, in remember_data_format  
models, status = func(*func_args, **func_kw)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/__init__.py", line 16, in open  
return open_mae(session, path, file_name, True, True)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 12, in open_mae  
p = MaestroParser(session, stream, file_name, auto_style, atomic)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 62, in __init__  
s = self._make_structure(block)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 108, in _make_structure  
res_seq = attrs["i_m_residue_number"]  
KeyError: 'i_m_residue_number'  
  
KeyError: 'i_m_residue_number'  
  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 108, in _make_structure  
res_seq = attrs["i_m_residue_number"]  
  
See log for complete Python traceback.  
  

> toolshed show

> open /home/atslab-3/JOBS/rxn_interpolation_3/rxn_interpolation_3_output.mae
> format "schrodinger maestro"

Traceback (most recent call last):  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/dialog.py", line 155, in _qt_safe  
run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + (""  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/run.py", line 36, in run  
results = command.run(text, log=log, return_json=return_json)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2856, in run  
result = ci.function(session, **kw_args)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 118, in cmd_open  
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2856, in run  
result = ci.function(session, **kw_args)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 181, in provider_open  
models, status = collated_open(session, None, [data], data_format,
_add_models,  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 432, in collated_open  
return remember_data_format()  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/open_command/cmd.py", line 403, in remember_data_format  
models, status = func(*func_args, **func_kw)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/__init__.py", line 16, in open  
return open_mae(session, path, file_name, True, True)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 8, in open_mae  
p = MaestroParser(session, stream, file_name, auto_style, atomic)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 62, in __init__  
s = self._make_structure(block)  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 108, in _make_structure  
res_seq = attrs["i_m_residue_number"]  
KeyError: 'i_m_residue_number'  
  
KeyError: 'i_m_residue_number'  
  
File "/usr/libexec/UCSF-ChimeraX/lib/python3.9/site-
packages/chimerax/maestro/io.py", line 108, in _make_structure  
res_seq = attrs["i_m_residue_number"]  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 535.86.05
OpenGL renderer: NVIDIA RTX A2000 12GB/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Tyrone Systems
Model: SS400TA-54
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
Virutal Machine: none
CPU: 8 Intel(R) Xeon(R) Silver 4208 CPU @ 2.10GHz
Cache Size: 11264 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:           125G         15G         41G        331M         68G        109G
	Swap:           31G          0B         31G

Graphics:
	04:00.0 VGA compatible controller [0300]: ASPEED Technology, Inc. ASPEED Graphics Family [1a03:2000] (rev 41)	
	Subsystem: Super Micro Computer Inc Device [15d9:1b34]	
	Kernel driver in use: ast
Locale: ('en_US', 'UTF-8')
PyQt5 5.15.2, Qt 5.15.2
Installed Packages:
    alabaster: 0.7.12
    appdirs: 1.4.4
    Babel: 2.9.1
    backcall: 0.2.0
    blockdiag: 2.0.1
    certifi: 2021.10.8
    cftime: 1.5.1.1
    charset-normalizer: 2.0.9
    ChimeraX-AddCharge: 1.2.2
    ChimeraX-AddH: 2.1.11
    ChimeraX-AlignmentAlgorithms: 2.0
    ChimeraX-AlignmentHdrs: 3.2
    ChimeraX-AlignmentMatrices: 2.0
    ChimeraX-Alignments: 2.2.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.0
    ChimeraX-ArtiaX: 0.3
    ChimeraX-Atomic: 1.31
    ChimeraX-AtomicLibrary: 4.2
    ChimeraX-AtomSearch: 2.0
    ChimeraX-AtomSearchLibrary: 1.0
    ChimeraX-AxesPlanes: 2.0
    ChimeraX-BasicActions: 1.1
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.0
    ChimeraX-BondRot: 2.0
    ChimeraX-BugReporter: 1.0
    ChimeraX-BuildStructure: 2.6.1
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.1
    ChimeraX-ButtonPanel: 1.0
    ChimeraX-CageBuilder: 1.0
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.2
    ChimeraX-ChemGroup: 2.0
    ChimeraX-Clashes: 2.2.2
    ChimeraX-Clipper: 0.17.0
    ChimeraX-ColorActions: 1.0
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5
    ChimeraX-CommandLine: 1.1.5
    ChimeraX-ConnectStructure: 2.0
    ChimeraX-Contacts: 1.0
    ChimeraX-Core: 1.3
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.3.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0
    ChimeraX-Cytoscape: 0.1
    ChimeraX-DataFormats: 1.2.2
    ChimeraX-DevelExtras: 0.4.1
    ChimeraX-Dicom: 1.0
    ChimeraX-DistMonitor: 1.1.5
    ChimeraX-DistUI: 1.0
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ExperimentalCommands: 1.0
    ChimeraX-FileHistory: 1.0
    ChimeraX-FunctionKey: 1.0
    ChimeraX-Geometry: 1.1
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1
    ChimeraX-Hbonds: 2.1.2
    ChimeraX-Help: 1.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ISOLDE: 1.3
    ChimeraX-ItemsInspection: 1.0
    ChimeraX-Label: 1.1
    ChimeraX-LinuxSupport: 1.0
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.4
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.1
    ChimeraX-Map: 1.1
    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0
    ChimeraX-MapFilter: 2.0
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1
    ChimeraX-Markers: 1.0
    ChimeraX-Mask: 1.0
    ChimeraX-MatchMaker: 2.0.4
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.1
    ChimeraX-Meeting: 1.0
    ChimeraX-MLP: 1.1
    ChimeraX-mmCIF: 2.4
    ChimeraX-MMTF: 2.1
    ChimeraX-Modeller: 1.2.6
    ChimeraX-ModelPanel: 1.2.1
    ChimeraX-ModelSeries: 1.0
    ChimeraX-Mol2: 2.0
    ChimeraX-Morph: 1.0
    ChimeraX-MouseModes: 1.1
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-NIHPresets: 1.1.12
    ChimeraX-Nucleotides: 2.0.2
    ChimeraX-OpenCommand: 1.7
    ChimeraX-PDB: 2.6.5
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBImages: 1.1
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0
    ChimeraX-PICKLUSTER: 0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.0.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-ResidueFit: 1.0
    ChimeraX-RestServer: 1.1
    ChimeraX-RIBFIND: 0.2
    ChimeraX-RMF: 0.14
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 2.0.1
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.4.6
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0
    ChimeraX-Shortcuts: 1.1
    ChimeraX-ShowAttr: 1.0
    ChimeraX-ShowSequences: 1.0
    ChimeraX-SideView: 1.0
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.6.1
    ChimeraX-STL: 1.0
    ChimeraX-Storm: 1.0
    ChimeraX-StrudelScore: 0.2
    ChimeraX-Struts: 1.0
    ChimeraX-Surface: 1.0
    ChimeraX-SwapAA: 2.0
    ChimeraX-SwapRes: 2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-TestManager: 0.3
    ChimeraX-Toolbar: 1.1
    ChimeraX-ToolshedUtils: 1.2
    ChimeraX-Tug: 1.0
    ChimeraX-UI: 1.13.7
    ChimeraX-uniprot: 2.2
    ChimeraX-UnitCell: 1.0
    ChimeraX-ViewDockX: 1.0.1
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0
    ChimeraX-WebServices: 1.0
    ChimeraX-XMAS: 1.1.2
    ChimeraX-Zone: 1.0
    colorama: 0.4.4
    cxservices: 1.1
    cycler: 0.11.0
    Cython: 0.29.24
    decorator: 5.1.0
    distro: 1.6.0
    docutils: 0.17.1
    filelock: 3.0.12
    funcparserlib: 0.3.6
    grako: 3.16.5
    h5py: 3.6.0
    html2text: 2020.1.16
    idna: 3.3
    ihm: 0.21
    imagecodecs: 2021.4.28
    imagesize: 1.3.0
    ipykernel: 5.5.5
    ipython: 7.23.1
    ipython-genutils: 0.2.0
    jedi: 0.18.0
    Jinja2: 3.0.1
    jupyter-client: 6.1.12
    jupyter-core: 4.9.1
    kiwisolver: 1.3.2
    line-profiler: 3.3.0
    lxml: 4.6.3
    lz4: 3.1.3
    MarkupSafe: 2.0.1
    matplotlib: 3.4.3
    matplotlib-inline: 0.1.3
    MolecularDynamicsViewer: 1.4
    msgpack: 1.0.2
    netCDF4: 1.5.7
    networkx: 2.6.3
    numexpr: 2.8.0
    numpy: 1.21.2
    openvr: 1.16.801
    packaging: 21.3
    ParmEd: 3.2.0
    parso: 0.8.3
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 8.3.2
    pip: 21.2.4
    pkginfo: 1.7.1
    prompt-toolkit: 3.0.23
    psutil: 5.8.0
    ptyprocess: 0.7.0
    pycollada: 0.7.1
    pydicom: 2.1.2
    Pygments: 2.10.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.6
    PyQt5-commercial: 5.15.2
    PyQt5-sip: 12.8.1
    PyQtWebEngine-commercial: 5.15.2
    python-dateutil: 2.8.2
    pytz: 2021.3
    pyzmq: 22.3.0
    qtconsole: 5.1.1
    QtPy: 1.11.3
    RandomWords: 0.3.0
    requests: 2.26.0
    scipy: 1.7.1
    SEQCROW: 1.8.1
    setuptools: 57.5.0
    sfftk-rw: 0.7.1
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    Sphinx: 4.2.0
    sphinx-autodoc-typehints: 1.12.0
    sphinxcontrib-applehelp: 1.0.2
    sphinxcontrib-blockdiag: 2.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.0
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    suds-jurko: 0.6
    tables: 3.6.1
    tifffile: 2021.4.8
    tinyarray: 1.2.3
    tornado: 6.1
    traitlets: 5.1.1
    urllib3: 1.26.7
    wcwidth: 0.2.5
    webcolors: 1.11.1
    wheel: 0.37.0
    wheel-filename: 1.3.0

Change History (2)

comment:1 by pett, 2 years ago

Component:	Unassigned → Surface/Binding Analysis
Owner:	set to pett
Platform:	→ all
Project:	→ ChimeraX
Status:	new → accepted
Summary:	ChimeraX bug report submission → Maestro: KeyError: 'i_m_residue_number'

comment:2 by pett, 2 years ago

Resolution:	→ can't reproduce
Status:	accepted → closed

Duplicate of #9215

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