diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 4a968b6aee68862d9eb32c16b0cc3f56f3c51df0..f6370d182ba00b8ffe786f064b289831bbda6085 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -531,6 +531,7 @@ class LigandScorer: """ # Transform lddt_pli to be on the scale of RMSD with warnings.catch_warnings(): # RuntimeWarning: divide by zero + warnings.simplefilter("ignore") mat2 = np.float64(1) / self.lddt_pli_matrix assignments = self._find_ligand_assignment(self.rmsd_matrix, mat2) @@ -549,6 +550,7 @@ class LigandScorer: """ # Transform lddt_pli to be on the scale of RMSD with warnings.catch_warnings(): # RuntimeWarning: divide by zero + warnings.simplefilter("ignore") mat1 = np.float64(1) / self.lddt_pli_matrix assignments = self._find_ligand_assignment(mat1, self.rmsd_matrix)