From 7f3f23fc6c95c5c5a5fb182803461cb310885c9a Mon Sep 17 00:00:00 2001
From: JoanaMPereira <pereira.joanam@gmail.com>
Date: Tue, 26 Mar 2024 09:36:52 +0100
Subject: [PATCH] it now saves the data on the go so that it does not analyse
what was previously analysed
---
barrOs_library.py | 17 ++++++++++-------
1 file changed, 10 insertions(+), 7 deletions(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index 0f27ce2..48b6cb2 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -2350,12 +2350,15 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
pdb_file = pdbID
chains_inpdb = get_chains_in_pdb(pdb_file, source_pdb=False)[0]
- try:
- pdbID, chainID = pdb_file[:-4].split('/')[-1].split('_')
- except:
- pdbID, chainID = pdb_file[:-4], chains_inpdb[0]
- if len(pdbID) > 4:
- pdbID, chainID = pdb_file[:-4], chains_inpdb[0]
+ if len(chain_inpdb) > 0:
+ try:
+ pdbID, chainID = pdb_file[:-4].split('/')[-1].split('_')
+ except:
+ pdbID, chainID = pdb_file[:-4], chains_inpdb[0]
+ if len(pdbID) > 4:
+ pdbID, chainID = pdb_file[:-4], chains_inpdb[0]
+ else:
+ pdb_file = 'not available'
# check if this is a OPM structure
membrane_thickness = parse_membrane_thickness_from_OMP(pdb_file)
@@ -2382,7 +2385,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
target_chains.append([pdbID.split('_')[0], chainID, chain_pdb, protein_type, membrane_thickness])
else:
target_chains = None
- else:
+ elif pdb_file != 'not available':
if 'AF-' not in pdbID and 'MGY' not in pdbID:
target_chains = [[pdbID.split('_')[0], chainID, pdb_file, protein_type, membrane_thickness]]
else:
--
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