diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 009b72a393010baf6f436cbb4f2f7f1ff1c48b91..d4fb9d763eddc73b7f1b6e04d22c58a823464edf 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -256,8 +256,14 @@ class LigandScorer: :type unassigned: :class:`bool` :param full_bs_search: If True, all potential binding sites in the model are searched for each target binding site. If False, - the search space in the model is reduced to regions - around model ligands. + the search space in the model is reduced to chains + around model ligands. This speeds up computations, + but may result in ligands not being scored if the + predicted ligand is too far from the actual binding + site. When that's the case, the value in the + `unassigned_*_ligands` property will be + `model_representation` and is indistinguishable from + cases where the binding site was not modeled at all. :type full_bs_search: :class:`bool` """ def __init__(self, model, target, model_ligands=None, target_ligands=None,