Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024
Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←54e452375f36602198245667b225ab8aa65ecb45
Updated Ligand Motifs Code
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Merge commit message:
large overhaul, moving the placement scoring into its own function as
score_placed_ligands(). The function reads in the minipose and a copt
of the original pose to help revert the working_pose pointer (to avoid
movers affecting future placements). Turned score cutoff variables into
class variables so that they don't have to be passed into the scoring
function.