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Feat: Add PDB file screenshot with coloring according to B-factors to output and in the report #45

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berntpopp opened this issue Aug 22, 2024 · 1 comment
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enhancement New feature or request

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Description:
Add a feature to generate a screenshot of the PDB file with coloring based on B-factors. This screenshot should be included in the output directory and referenced in the final report to provide a visual representation of the protein structure with relevant B-factor data.

Expected Behavior:

  • Generate an image of the PDB structure with B-factor coloring.
  • Save this image in the output directory.
  • Include this image in the final report generated by the pipeline.

Proposed Solution:

  • Use an appropriate molecular visualization tool (e.g., PyMOL or ChimeraX) to generate the colored PDB structure image.
  • Integrate the screenshot generation step into the pipeline.
@berntpopp berntpopp added the enhancement New feature or request label Aug 22, 2024
@berntpopp berntpopp self-assigned this Aug 22, 2024
@berntpopp
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related to #44

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