diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index d52fbc60c5f4c86465deacdd1cec71731368df06..5739ffd47d3cc120b1c585b392e94ca96f7bed5d 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -588,6 +588,9 @@ class LigandScorer: Target ligands are in rows, model ligands in columns. + Infinite values indicate that no RMSD could be computed (i.e. different + ligands). + :rtype: :class:`~numpy.ndarray` """ if self._rmsd_full_matrix is None: @@ -608,6 +611,9 @@ class LigandScorer: Target ligands are in rows, model ligands in columns. + A value of 0 indicate that no lDDT-PLI could be computed (i.e. different + ligands). + :rtype: :class:`~numpy.ndarray` """ if self._lddt_pli_full_matrix is None: