diff --git a/src/structure.cpp b/src/structure.cpp index 0017d0f..a2bc652 100644 --- a/src/structure.cpp +++ b/src/structure.cpp @@ -109,7 +109,7 @@ void stripCifFile(const std::string &af_id, std::set requestedAsyms for (const auto &[asymID, entityID] : struct_asym.rows("id", "entity_id")) { // check if this is a nonpoly entity - if (entity_poly.exists("entity_id"_key == entityID)) + if (entity_poly.contains("entity_id"_key == entityID)) continue; existingAsyms.insert(asymID);