diff --git a/rna_tools/rna_pdb_tools.py b/rna_tools/rna_pdb_tools.py index 08a7062b1..63e7221d6 100755 --- a/rna_tools/rna_pdb_tools.py +++ b/rna_tools/rna_pdb_tools.py @@ -1293,16 +1293,16 @@ def has_high_rna_content(chain, threshold=0.8): remarks = [] remarks.append(f'REMARK rna chain {chain.id} -> {chain_id_new}') + pdb_file = cif_file.replace('.cif', f'_{chain_id}_n{chain_id_new}_fCIF.pdb') + print(f'rna chain {chain.id} -> {chain_id_new} {pdb_file} # of atoms: {atom_count}') + chain.id = chain_id_new new_model.add(chain) - pdb_file = cif_file.replace('.cif', f'_{chain_id}_n{chain_id_new}_fCIF.pdb') - io = PDBIO() io.set_structure(new_structure) io.save(pdb_file) - print(f'rna chain {chain.id} -> {chain_id_new} # of atoms: {atom_count} {pdb_file}') # open a file add remarks new_file = '' with open(pdb_file, 'r') as f: