#14862 closed defect (fixed)

KeyError: "No known data format 'mtz'"

Reported by: chimerax-bug-report@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: Tool Shed Version:
Keywords: Cc: chimera-programmers, Tristan Croll
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.22631
ChimeraX Version: 1.8.dev202403290055 (2024-03-29 00:55:10 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
Startup Errors  
---  
error | Bundle 'ChimeraX-OpenCommand' custom initialization failed  
warning | Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\manager.py", line 112, in add_provider  
data_format = self.session.data_formats[format_name]  
~~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\data_formats\manager.py", line 205, in __getitem__  
raise KeyError("No known data format '%s'" % key)  
KeyError: "No known data format 'mtz'"  
  
During handling of the above exception, another exception occurred:  
  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\toolshed\info.py", line 387, in init_manager  
return api._api_caller.init_manager(api, session, self, name, **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 1298, in init_manager  
return cls._get_func(api, "init_manager")(session, bi, name, **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\\__init__.py", line 135, in init_manager  
session.open_command = manager.OpenManager(session, name)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\manager.py", line 64, in __init__  
super().__init__(name)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 992, in __init__  
ts._init_single_manager(self)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\toolshed\\__init__.py", line 871, in
_init_single_manager  
mgr.add_provider(pbi, pvdr, **kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\manager.py", line 114, in add_provider  
raise ValueError("Database-fetch provider '%s' in bundle %s specified"  
ValueError: Database-fetch provider 'redo' in bundle Map specified unknown
data format 'mtz'  
note | available bundle cache has not been initialized yet  
  
UCSF ChimeraX version: 1.8.dev202403290055 (2024-03-29)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "C:\Users\Matt\Downloads\Bat vs Human Class I with b2m .cxs" format
> session

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 320, in interceptRequest  
self._callback(info)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 93, in _intercept  
return interceptor(request_info, *args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 353, in intercept  
chimerax_intercept(*args, view=view, session=session)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 455, in chimerax_intercept  
session.ui.thread_safe(defer, session, qurl.url(no_formatting), from_dir)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\chimerax\ui\gui.py",
line 388, in thread_safe  
func(*args, **kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 446, in defer  
cxcmd(session, topic)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 464, in cxcmd  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2904, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
AttributeError: 'Session' object has no attribute 'open_command'  
  
AttributeError: 'Session' object has no attribute 'open_command'  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  

> open "C:\Users\Matt\Downloads\Bat vs Human Class I with b2m .cxs" format
> session

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 320, in interceptRequest  
self._callback(info)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 93, in _intercept  
return interceptor(request_info, *args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 353, in intercept  
chimerax_intercept(*args, view=view, session=session)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 455, in chimerax_intercept  
session.ui.thread_safe(defer, session, qurl.url(no_formatting), from_dir)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\chimerax\ui\gui.py",
line 388, in thread_safe  
func(*args, **kw)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 446, in defer  
cxcmd(session, topic)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 464, in cxcmd  
run(session, cmd)  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2904, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
AttributeError: 'Session' object has no attribute 'open_command'  
  
AttributeError: 'Session' object has no attribute 'open_command'  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  

> open "C:/Users/Matt/Downloads/Bat vs Human Class I with b2m .cxs"

Traceback (most recent call last):  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\chimerax\ui\gui.py",
line 662, in dropEvent  
_open_dropped_file(self.session, p)  
File "C:\Program Files\ChimeraX\bin\Lib\site-packages\chimerax\ui\gui.py",
line 2027, in _open_dropped_file  
run(session, 'open %s' % FileNameArg.unparse(path))  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run  
results = command.run(text, log=log, return_json=return_json)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 2904, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
AttributeError: 'Session' object has no attribute 'open_command'  
  
AttributeError: 'Session' object has no attribute 'open_command'  
  
File "C:\Program Files\ChimeraX\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 79, in cmd_open  
mgr = session.open_command  
^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 - Build 31.0.101.5333
OpenGL renderer: Intel(R) Arc(TM) A770 Graphics
OpenGL vendor: Intel

Python: 3.11.4
Locale: en_US.cp1252
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.2
Qt platform: windows

Manufacturer: ASUS
Model: System Product Name
OS: Microsoft Windows 11 Education (Build 22631)
Memory: 34,262,872,064
MaxProcessMemory: 137,438,953,344
CPU: 16 AMD Ryzen 7 5700X 8-Core Processor             
OSLanguage: en-US

Installed Packages:
    alabaster: 0.7.16
    appdirs: 1.4.4
    asttokens: 2.4.1
    Babel: 2.14.0
    beautifulsoup4: 4.12.3
    blockdiag: 3.0.0
    blosc2: 2.5.1
    build: 1.1.1
    certifi: 2024.2.2
    cftime: 1.6.3
    charset-normalizer: 3.3.2
    ChimeraX-AddCharge: 1.5.16
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.4.3
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.12.5
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.1.1
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.56
    ChimeraX-AtomicLibrary: 14.0.3
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.4
    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: 2.12.1
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    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
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    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.4
    ChimeraX-ChangeChains: 1.1
    ChimeraX-CheckWaters: 1.4
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-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: 1.8.dev202403290055
    ChimeraX-CoreFormats: 1.2
    ChimeraX-coulombic: 1.4.3
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4.2
    ChimeraX-DockPrep: 1.1.3
    ChimeraX-Dssp: 2.0
    ChimeraX-EMDB-SFF: 1.0
    ChimeraX-ESMFold: 1.0
    ChimeraX-FileHistory: 1.0.1
    ChimeraX-FunctionKey: 1.0.1
    ChimeraX-Geometry: 1.3
    ChimeraX-gltf: 1.0
    ChimeraX-Graphics: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.2
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-IUPAC: 1.0
    ChimeraX-Label: 1.1.9
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    ChimeraX-Log: 1.1.6
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    ChimeraX-Maestro: 1.9.1
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    ChimeraX-MapData: 2.0
    ChimeraX-MapEraser: 1.0.1
    ChimeraX-MapFilter: 2.0.1
    ChimeraX-MapFit: 2.0
    ChimeraX-MapSeries: 2.1.1
    ChimeraX-Markers: 1.0.1
    ChimeraX-Mask: 1.0.2
    ChimeraX-MatchMaker: 2.1.3
    ChimeraX-MCopy: 1.0
    ChimeraX-MDcrds: 2.7
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.14
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.15
    ChimeraX-ModelPanel: 1.5
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    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-NMRSTAR: 1.0.2
    ChimeraX-NRRD: 1.1
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.13.3
    ChimeraX-PDB: 2.7.5
    ChimeraX-PDBBio: 1.0.1
    ChimeraX-PDBLibrary: 1.0.4
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.2
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.3
    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
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    ChimeraX-SchemeMgr: 1.0
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    ChimeraX-Segger: 1.0
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    ChimeraX-Shape: 1.0.1
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    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.5
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-TaskManager: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.4
    ChimeraX-Topography: 1.0
    ChimeraX-ToQuest: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.37.1
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    ChimeraX-ViewDockX: 1.3.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
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    ChimeraX-vrml: 1.0
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    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
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    comm: 0.2.2
    comtypes: 1.3.1
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    cycler: 0.12.1
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    executing: 2.0.1
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    html2text: 2024.2.26
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    ihm: 0.43
    imagecodecs: 2024.1.1
    imagesize: 1.4.1
    ipykernel: 6.29.2
    ipython: 8.21.0
    ipywidgets: 8.1.2
    jedi: 0.19.1
    Jinja2: 3.1.3
    jupyter-client: 8.6.0
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Change History (11)

comment:1 by Eric Pettersen, 19 months ago

Cc: chimera-programmers added
Component: UnassignedTool Shed
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionKeyError: "No known data format 'mtz'"

comment:2 by Eric Pettersen, 19 months ago

Here's the first known occurrence of the MTZ problem "in the wild". I am going to downgrade to a logged warning for now, so that builds work and new users don't get bitten.

We need to discuss the issue at a programmer's meeting. The possible solutions that occur to me are:

1) Toolshed fetch is synchronous if the cache is missing, asynchronous otherwise.

2) Move the PDB-REDO MTZ fetch to a small bundle on the toolshed. Users would have to get that bundle _and_ the Clipper bundle to get the fetch to work, and the fetch would not show up in the Fetch By ID panel if the toolshed cache was not initialized.

3) Ask Tristan to add the fetch code to the Clipper bundle. Still would not show up in Fetch By ID if toolshed cache was missing.

4) Some kind of complex code that remembers these kinds of failures and reexamines them when the toolshed cache initialization completes.

comment:3 by Tom Goddard, 19 months ago

Cc: Tristan Croll added

comment:4 by Eric Pettersen, 19 months ago

Okay, downgraded the error to just a log message for now.

comment:5 by Eric Pettersen, 19 months ago

I guess option (5) is just to leave it as a log message -- you won't be able to fetch REDO maps until you start ChimeraX with an existing toolshed cache.

comment:6 by Tom Goddard, 19 months ago

Does this downgrading the error to just log a message fix the Mac Intel build which fails making the Info.plist file? If not, it would be nice to fix the Mac Intel build now possibly by removing PDB-Redo fetch until we have an adequate solution.

comment:7 by Eric Pettersen, 19 months ago

I believe it should fix it.

comment:8 by Eric Pettersen, 19 months ago

And option (6)(!) is to moved the MTZ format declaration from the Clipper bundle to the map bundle (leaving the actual opener in Clipper).

comment:9 by Zach Pearson, 19 months ago

Does the toolshed's API not support queries like SELECT * FROM BUNDLES WHERE PROVIDED_FILETYPES="mtz"? That would be a lightning fast query even if it was synchronous.

Perhaps we could put the toolshed cache the Webservices and have an endpoint called by something like toolshed_bundle_for_filetype()

This would be kind of like what Greg was suggesting except every ChimeraX would be up to date forever.

in reply to:  9 comment:10 by Eric Pettersen, 19 months ago

These are both good possibilities if this kind of issue occurs more, so that it's worth the implementation effort. My plan right now for the MTZ thing is to ask the chimerax.core Toolshed instance if its cache is initialized (need a new API call for that) and if it isn't, don't even put anything in the log about the missing format, but if it is initialized then issue a warning (since the missing format is an actual problem).

Replying to Zach Pearson:

Does the toolshed's API not support queries like SELECT * FROM BUNDLES WHERE PROVIDED_FILETYPES="mtz"? That would be a lightning fast query even if it was synchronous.

Perhaps we could put the toolshed cache the Webservices and have an endpoint called by something like toolshed_bundle_for_filetype()

This would be kind of like what Greg was suggesting except every ChimeraX would be up to date forever.

comment:11 by Eric Pettersen, 17 months ago

Resolution: fixed
Status: acceptedclosed
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