dauparas / ProteinMPNN

Code for the ProteinMPNN paper
MIT License
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Fix for issue #92 - Adding proline #94

Open tony-res opened 9 months ago

tony-res commented 9 months ago

Fix for PDB files that have IMGT numbering. Issue #92

The original code ends up adding/removing residues when it runs into a residue number of "112A" or "34A".

To fix, I just renumber the residues whenever the label changes. So they'll be just 1 to N residues.

It would be better if we first run the PDB file through some tools that fixes the PDB and renumbers it with only integer values. However, I didn't want to change too much of the code just in case other things might break.