diff --git a/barrOs_library.py b/barrOs_library.py index b47c212e7bb96817cb7385ced5c7124d3baeed51..4b04741ef40c78ef5c9882b1ca1e2a69888546b7 100644 --- a/barrOs_library.py +++ b/barrOs_library.py @@ -719,7 +719,6 @@ def get_secondary_structure(pdb_file): run_dssp = sp.Popen(['mkdssp', '-i', pdb_file, '-o', out_file], stdout=sp.PIPE, stderr=sp.PIPE, stdin=sp.PIPE) stdout, stderr = run_dssp.communicate() - print(stderr) if len(stderr) > 0: run_dssp = sp.Popen(['dssp', '-i', pdb_file, '-o', out_file], stdout=sp.PIPE, stderr=sp.PIPE, stdin=sp.PIPE) stdout, stderr = run_dssp.communicate() @@ -2322,10 +2321,10 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist for pdbID, chainID, pdb_file, protein_type, membrane_thickness in target_chains: - try: - pdb_sequence, barrel_topology, chains, num_bb_regions, pdb_file = process_barrel(pdb_file, ID = pdbID, chainID = chainID, offset = offset, step = step, local_angle_threshold = local_angle_threshold, distance_threshold = distance_threshold, multimer_only=multimer_only) - except: - num_bb_regions = 0 + # try: + pdb_sequence, barrel_topology, chains, num_bb_regions, pdb_file = process_barrel(pdb_file, ID = pdbID, chainID = chainID, offset = offset, step = step, local_angle_threshold = local_angle_threshold, distance_threshold = distance_threshold, multimer_only=multimer_only) + # except: + num_bb_regions = 0 # check if it has a barrel. If so, continue if num_bb_regions > 0 and len(pdb_sequence) < 10000: