From fbfc632c190713ebb2c7eb44f6343e7b5aeaebd1 Mon Sep 17 00:00:00 2001
From: Joana Pereira <joanapereira@4414.bioz.unibas.ch>
Date: Sat, 22 Jul 2023 00:26:36 +0200
Subject: [PATCH] added option to provide directory with pdb files as input
---
barrOs_library.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index 6ae2b0e..deda677 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -20,7 +20,7 @@ from random import *
from scipy import stats
## DEFINE DEFAULT PARAMETERS
-accepted_input_types = ['pdb_file', 'pdbID', 'hhpred', 'pdbsum_fasta']
+accepted_input_types = ['pdb_file', 'pdbID', 'pdb_folder', 'hhpred', 'pdbsum_fasta']
accepted_modes = ['membrane', 'non-membrane', 'all']
## 0. FOR LOGGING
@@ -333,6 +333,9 @@ def get_all_pdbIDs(input_files, input_types):
if input_types[i] == 'pdb_file':
pdb_file = input_string
pdbIDs.append(pdb_file)
+ elif input_types[i] == 'pdb_folder':
+ pdb_files = ['{}/{}'.format(input_string, f) for f in os.listdir(input_string) if f.endswith('.pdb')]
+ pdbIDs += pdb_files
elif input_types[i] == 'pdbID':
pdbIDs.append(input_string)
elif input_types[i] == 'hhpred':
--
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