diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 072f60573ee67e4e0f42a3d1497740b11511c0e6..bb08a9841d508e33801fbc005c5df1563665581c 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -55,7 +55,7 @@ class LigandScorer: Note that this global chain mapping currently ignores non polymer entities such as small ligands, and may result in overly pessimistic scores. - By defaults, target-model ligand assignments are computed independently + By default, target-model ligand assignments are computed independently for the RMSD and lDDT-PLI scores. For RMSD, each model ligand is uniquely assigned to a target ligand, starting from the "best" possible mapping (lowest RMSD) and using each target and model ligand in a single @@ -78,7 +78,7 @@ class LigandScorer: scoring. :ref:`Molck <molck>` should be used with extra care, as many of the options (such as `rm_non_std` or `map_nonstd_res`) can cause ligands to be removed from the structure. If cleanup with Molck is - needed, ligands should be kept and passed separately. Non-ligand residues + needed, ligands should be kept aside and passed separately. Non-ligand residues should be valid compounds with atom names following the naming conventions of the component dictionary. Non-standard residues are acceptable, and if the model contains a standard residue at that position, only atoms with