From f166a30a8e9dcd1358d6799ca5c1d455ccfd2b7a Mon Sep 17 00:00:00 2001 From: Joana Pereira <joanapereira@4414.bioz.unibas.ch> Date: Wed, 10 May 2023 14:13:35 +0200 Subject: [PATCH] implemented the detection of OMBBs that form complexes with OMBBs. it also works with input pdbs now. --- barrOs_library.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/barrOs_library.py b/barrOs_library.py index 0eb1112..43215ef 100644 --- a/barrOs_library.py +++ b/barrOs_library.py @@ -2305,7 +2305,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist if len(chains_inpdb) > 1: for chainID in chains_inpdb: if isfile: - chain_pdb, _ = extract_chain(pdb_file, chainID, outpdb = 'downloaded_pdbs/{}_{}.pdb'.format(pdbID, chainID)) + chain_pdb, _ = extract_chain(pdb_file, chainID, outpdb = '{}_{}.pdb'.format(pdbID, chainID)) target_chains.append([pdbID.split('.')[0], chainID, chain_pdb, protein_type, membrane_thickness]) else: chain_pdb, protein_type, membrane_thickness = download_pdb('{}_{}'.format(pdbID.split('_')[0], chainID)) -- GitLab