From 4721096748186bf4ed3f8a036776fd43f47a3bc6 Mon Sep 17 00:00:00 2001
From: Joana Pereira <joanapereira@4414.bioz.unibas.ch>
Date: Sat, 22 Jul 2023 09:02:06 +0200
Subject: [PATCH] fixed issue with pdb name when input is AFDB model
---
barrOs_library.py | 16 ++++++++++------
1 file changed, 10 insertions(+), 6 deletions(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index 07a1c90..05dde8e 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -2283,12 +2283,16 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist
isfile = True
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 'AF-' in pdbID:
+ pdbID, chainID = pdb_file, chains_inpdb[0]
+ else:
+ 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]
# check if this is a OPM structure
membrane_thickness = parse_membrane_thickness_from_OMP(pdb_file)
--
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