diff --git a/modules/mol/alg/src/lddt.cc b/modules/mol/alg/src/lddt.cc index 7c8079d567b23a587426950c5bc27991e78e18a6..64b094296bac8d2e2c14546f25fa36cc00240a8b 100644 --- a/modules/mol/alg/src/lddt.cc +++ b/modules/mol/alg/src/lddt.cc @@ -276,7 +276,13 @@ int main (int argc, char **argv) if (!ref) { exit(-1); } - ref_list.push_back(ref.CreateFullView()); + if (settings.sel != ""){ + std::cout << "Performing \"" << settings.sel << "\" selection on reference " << ref_filename << std::endl; + ref_list.push_back(ref.Select(settings.sel)); + } + else { + ref_list.push_back(ref.CreateFullView()); + } } CleanlDDTReferences(ref_list); glob_dist_list = PreparelDDTGlobalRDMap(ref_list, settings);