diff --git a/src/model.cpp b/src/model.cpp index aed2f99..9270770 100644 --- a/src/model.cpp +++ b/src/model.cpp @@ -368,6 +368,7 @@ atom residue::create_new_atom(atom_type inType, const std::string &inAtomID, poi { "label_entity_id", get_entity_id() }, { "label_atom_id", inAtomID }, { "label_asym_id", m_asym_id }, + { "label_alt_id", "." }, { "label_comp_id", m_compound_id }, { "label_seq_id", m_seq_id }, { "auth_asym_id", m_auth_asym_id }, @@ -2918,8 +2919,6 @@ void structure::reorder_atoms() d = a.get("label_asym_id").compare(b.get("label_asym_id")); if (d == 0) d = a.get("label_seq_id") - b.get("label_seq_id"); - if (d == 0) - d = a.get("label_alt_id").compare(b.get("label_alt_id")); if (d == 0) d = compare_numbers(a.get("id"), b.get("id"));