diff --git a/modules/mol/alg/pymod/dockq.py b/modules/mol/alg/pymod/dockq.py index e8ec3f7a5e42d2bfdffa5929266ab9550aabbe14..7be3ca5d2a235bc58f5f15a7172a32f3a1da1e88 100644 --- a/modules/mol/alg/pymod/dockq.py +++ b/modules/mol/alg/pymod/dockq.py @@ -215,7 +215,7 @@ def _RMSDScores(mdl, ref, mdl_ch1, mdl_ch2, ref_ch1, ref_ch2, dist_thresh=10.0, # receptor is by definition the larger chain in ref n_ch1 = len(ref.FindChain(ref_ch1).residues) n_ch2 = len(ref.FindChain(ref_ch2).residues) - if n_ch1 > n_ch2: + if n_ch1 >= n_ch2: ref_receptor_residues = ref_ch1_residues.values() ref_ligand_residues = ref_ch2_residues.values() mdl_receptor_residues = \