diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py index 59d9e0b4e4aa39c95f21afe5d2ca2eb75929c9a5..48e40c264089f37905fa8c7b61ed9ce355819998 100644 --- a/modules/mol/alg/pymod/lddt.py +++ b/modules/mol/alg/pymod/lddt.py @@ -1041,6 +1041,11 @@ class lDDTScorer: mask_start.extend([r_start_idx] * n_valid_atoms) mask_end.extend([r_start_idx + n_valid_atoms] * n_valid_atoms) r_start_idx += n_valid_atoms + + if len(pos_list) == 0: + # nothing to do... + continue + pos = np.vstack(pos_list) atom_indices = np.asarray(atom_indices) dists = cdist(pos, pos)