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protti 0.5.0
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@jpquast jpquast released this 29 Sep 19:54
· 266 commits to master since this release
v0.5.0
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protti 0.5.0

New features

  • fetch_alphafold_aligned_error() was added. It fetches the aligned error matrix for structure predictions from the AlphaFold EBI database.
  • predict_alphafold_domain() was added. It uses a graph-based community clustering algorithm of AlphaFold predicted aligned errors in order to infer protein domains in AlphaFold predictions. The code is based on python code by Tristan Croll.

Bug fixes

  • assign_missingness() now correctly deals with unequal replicate numbers of comparisons. In addition there is a message returned if an unequal number of replicates is detected for a comparison.
  • fetch_chebi() fixed a bug that prevented the function from failing gracefully if there is a connection problem to the server.
  • extract_metal_binders() now checks if the provided data frames are NULL. If yes, a message and NULL is returned.
  • fetch_mobidb() was updated after the API changed.

Additional changes

  • Updated the "Protein Structure Analysis Workflow" vignette to include the fetch_alphafold_aligned_error() and predict_alphafold_domain() functions.
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