diff --git a/modules/mol/alg/pymod/ligand_scoring.py b/modules/mol/alg/pymod/ligand_scoring.py index d03caf265ca819cf49c5cf22ea1b144fd0a38371..6d1a25ad90c2dd65d3cde449110869b861a34027 100644 --- a/modules/mol/alg/pymod/ligand_scoring.py +++ b/modules/mol/alg/pymod/ligand_scoring.py @@ -136,12 +136,16 @@ class LigandScorer: self.target_ligands = self._extract_ligands(self.target) else: self.target_ligands = self._prepare_ligands(self.target, target, target_ligands) + if len(self.target_ligands) == 0: + raise ValueError("No ligands in the target") # Extract ligands from model if model_ligands is None: self.model_ligands = self._extract_ligands(self.model) else: self.model_ligands = self._prepare_ligands(self.model, model, model_ligands) + if len(self.model_ligands) == 0: + raise ValueError("No ligands in the model") self._chain_mapper = chain_mapper self.resnum_alignments = resnum_alignments