diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index 5b0a87da71b5c6901cd19da191b555f882609f42..29897cfc1669ed588e2e4b300576555765abb9fc 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -854,7 +854,7 @@ class LigandScorer: if np.any(alternative_matches): # Get the scores of these matches LogVerbose("Found match with lower coverage but better score") - min_mat1 = np.min(mat1[alternative_matches]) + min_mat1 = np.nanmin(mat1[alternative_matches]) max_i_trg, max_i_mdl = _get_best_match(min_mat1, min_coverage - coverage_delta) # Disable row and column