bundle_info.xml

<!--
ChimeraX bundle names must start with "ChimeraX-"
to avoid clashes with package names in pypi.python.org.
When uploaded to the ChimeraX toolshed, the bundle
will be displayed without the ChimeraX- prefix.
-->

<BundleInfo name="DiffFit"
	    version="0.7.3" package="chimerax.difffit"
  	    minSessionVersion="1" maxSessionVersion="1">

  <!-- Additional information about bundle source -->
  <Author>Deng "Roden" Luo</Author>
  <Email>deng.luo@kaust.edu.sa</Email>
  <URL>https://github.com/nanovis/DiffFitViewer</URL>

  <!-- Synopsis is a one-line description
       Description is a full multi-line description -->
  <Synopsis>Rapid Differentiable Fitting of Molecule Structures to a Cryo-EM Map on GPU</Synopsis>
  <Description>
  Implements DiffFit ChimeraX plugin.
  </Description>

  <!-- Categories is a list where this bundle should appear -->
  <Categories>
    <Category name="Volume Data"/>
  </Categories>

  <!-- Dependencies on other ChimeraX/Python packages -->
  <Dependencies>
    <Dependency name="ChimeraX-Core" version="~=1.1"/>
    <Dependency name="ChimeraX-UI" version="~=1.0"/>
    <Dependency name="ChimeraX-QScore" version="==1.1"/>
    <Dependency name="torch" version="==2.2.1"/>
    <Dependency name="biopython" version="==1.83"/>
    <Dependency name="mrcfile" version="==1.5.0"/>
  </Dependencies>

  <!-- Non-Python files that are part of package -->
  <DataFiles>
    <DataFile>docs/user/tools/DiffFit.html</DataFile>
  </DataFiles>

  <Classifiers>
    <!-- Development Status should be compatible with bundle version number -->
    <PythonClassifier>Development Status :: 3 - Alpha</PythonClassifier>
    <PythonClassifier>License :: Freeware</PythonClassifier>
    <!-- ChimeraX classifiers describe supplied functionality -->
    <!-- Register a graphical interface tool -->
    <ChimeraXClassifier>ChimeraX :: Tool :: DiffFit ::
      Volume Data :: Differentiable Fit in Map</ChimeraXClassifier>

    <ChimeraXClassifier>ChimeraX :: Command :: dfit :: General ::
      Fit a single structure into a volume map</ChimeraXClassifier>
    <ChimeraXClassifier>ChimeraX :: Command :: dfit disk :: General ::
      Fit a list of structures from disk into a volume map</ChimeraXClassifier>
    <ChimeraXClassifier>ChimeraX :: Command :: dfit path :: General ::
      Manipulate the paths in DiffFit results</ChimeraXClassifier>

  </Classifiers>

</BundleInfo>