diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py index 7c0a0dfe2c53cc5a42ee4b631348e73ae888046d..ae7fdbc2970a7c8f377bc979f0a14a1e76935899 100644 --- a/modules/mol/alg/pymod/lddt.py +++ b/modules/mol/alg/pymod/lddt.py @@ -682,7 +682,7 @@ class lDDTScorer: r = residues[res_indices[i]] r_idx = ref_res_indices[i] res_start_idx = self.res_start_indices[r_idx] - anames = self.compound_anames[r.GetName()] + anames = self.compound_anames[self.compound_names[r_idx]] for a_i in indices: a = r.FindAtom(anames[a_i - res_start_idx]) assert(a.IsValid())