From 0c1d1f554c5fa32f842559c882a390e8cf339fd8 Mon Sep 17 00:00:00 2001
From: Joana Pereira <joanapereira@4414.bioz.unibas.ch>
Date: Wed, 10 May 2023 14:03:55 +0200
Subject: [PATCH] implemented the detection of OMBBs that form complexes with
OMBBs. it also works with input pdbs now.
---
barrOs_library.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index 830402b..f666a0a 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -2302,7 +2302,10 @@ 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:
- chain_pdb, protein_type, membrane_thickness = download_pdb('{}_{}'.format(pdbID.split('_')[0], chainID))
+ if input_mode == 'pdb_file':
+ chain_pdb, _ = extract_chain(pdb_file, chain, outpdb = 'downloaded_pdbs/{}_{}.pdb'.format(pdbID, chainID))
+ else:
+ chain_pdb, protein_type, membrane_thickness = download_pdb('{}_{}'.format(pdbID.split('_')[0], chainID))
target_chains.append([pdbID.split('_')[0], chainID, chain_pdb, protein_type, membrane_thickness])
else:
target_chains = None
--
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