diff --git a/barrOs_library.py b/barrOs_library.py index 98416952c5bd9175ea0dcb67630cde82f46b5c63..f1d8fb757f461d3f96cc245c5063f5b981db5e3f 100644 --- a/barrOs_library.py +++ b/barrOs_library.py @@ -2271,11 +2271,13 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist for i, pdbID in enumerate(in_queue): deleted_it = False + isfile = False print(" ... Taking care of '{}' (job {}) ({}/{})".format(pdbID, job_number+1, i+1, len(in_queue))) if '.pdb' in pdbID or '.ent' in pdbID: + isfile = True pdb_file = pdbID chains_inpdb = get_chains_in_pdb(pdb_file, source_pdb=False)[0] try: @@ -2302,7 +2304,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist target_chains = [] if len(chains_inpdb) > 1: for chainID in chains_inpdb: - if '.pdb' in pdbID or '.ent' in pdbID: + if isfile: chain_pdb, _ = extract_chain(pdb_file, chain, outpdb = 'downloaded_pdbs/{}_{}.pdb'.format(pdbID, chainID)) target_chains.append([pdbID.split('.')[0], chainID, chain_pdb, protein_type, membrane_thickness]) else: