diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc index 496957c8514639bf036b6327252c7703413b5014..3020a68aaf5e02dd90e8e1624edb6bea27f21d26 100644 --- a/modules/io/src/mol/mmcif_writer.cc +++ b/modules/io/src/mol/mmcif_writer.cc @@ -1247,8 +1247,8 @@ namespace { throw ost::io::IOException(ss.str()); } AddAsymResnum(ai, res_list, entity_info[ei_idx], true); - Feed_atom_site(atom_site, ai, ei_idx, entity_info[ei_idx], res_list); - Feed_pdbx_poly_seq_scheme(pdbx_poly_seq_scheme, ai, ei_idx, + Feed_atom_site(atom_site, ai, ei_idx+1, entity_info[ei_idx], res_list); + Feed_pdbx_poly_seq_scheme(pdbx_poly_seq_scheme, ai, ei_idx+1, entity_info[ei_idx], res_list); preprocessed_chains.insert(ai); } else if(entity_info[ei_idx].type == "branched") { @@ -1268,12 +1268,12 @@ namespace { throw ost::io::IOException(ss.str()); } AddAsym(ai, entity_info[ei_idx], true); - Feed_atom_site(atom_site, ai, ei_idx, entity_info[ei_idx], res_list); + Feed_atom_site(atom_site, ai, ei_idx+1, entity_info[ei_idx], res_list); preprocessed_chains.insert(ai); } else if (entity_info[ei_idx].type == "water") { auto res_list = chain.GetResidueList(); AddAsym(ai, entity_info[ei_idx], true); - Feed_atom_site(atom_site, ai, ei_idx, entity_info[ei_idx], res_list); + Feed_atom_site(atom_site, ai, ei_idx+1, entity_info[ei_idx], res_list); preprocessed_chains.insert(ai); } else { auto res_list = chain.GetResidueList(); @@ -1284,7 +1284,7 @@ namespace { throw ost::io::IOException(ss.str()); } AddAsym(ai, entity_info[ei_idx], true); - Feed_atom_site(atom_site, ai, ei_idx, entity_info[ei_idx], res_list); + Feed_atom_site(atom_site, ai, ei_idx+1, entity_info[ei_idx], res_list); preprocessed_chains.insert(ai); } } @@ -1302,11 +1302,11 @@ namespace { res_list, true, entity_info); - Feed_atom_site(atom_site, chain_name, entity_id, entity_info[entity_id], + Feed_atom_site(atom_site, chain_name, entity_id+1, entity_info[entity_id], res_list); if(entity_info[entity_id].is_poly) { Feed_pdbx_poly_seq_scheme(pdbx_poly_seq_scheme, chain_name, - entity_id, entity_info[entity_id], res_list); + entity_id+1, entity_info[entity_id], res_list); } } }