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chemosim-lab / ProLIF

Interaction Fingerprints for protein-ligand complexes and more
https://prolif.readthedocs.io
Apache License 2.0
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Regex for parsing residues #206

Open exs-cbouy opened 3 weeks ago

exs-cbouy commented 3 weeks ago

Example of ResidueId that cannot be roundtriped:

K  123.A
MN 123.A

These get parsed as

UNK0.K
MN0