Arcadia-Science / ProteinCartography

a pipeline to build similarity maps of protein space
MIT License
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Ensure user-provided PDBs are used for clustering #83

Closed keithchev closed 7 months ago

keithchev commented 7 months ago

Overview

This PR makes two changes to fix bugs that may prevent user-provided PDB files from being used for clustering:

This should (hopefully) address #82.

This behavior is not currently covered by automated testing, but I tested manually that copy_pdb is called when a PDB is present in the input directory, whether or not its protid was among the aggregated hits for which alphafold PDBs are downloaded.

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