Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024
Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←eb2fa1fd4d658191d54dbea3aab1a4e3d6c7c5eb
Updated Ligand Motifs Code
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Merge commit message:
fixing constraint function because I forgot to add ligresOP to it. More
importantly, adding function to score a given pose with a given score
function, and integrating that into discover(). Keeping this function
public, since it could have potential use cases outside of discover()