From fc163c62c10a3089b1f18b525dd008ffdcb781a0 Mon Sep 17 00:00:00 2001
From: Joana Pereira <joanapereira@4414.bioz.unibas.ch>
Date: Sat, 22 Jul 2023 00:51:13 +0200
Subject: [PATCH] added option to provide directory with pdb files as input
---
barrOs_library.py | 12 ++++++++----
1 file changed, 8 insertions(+), 4 deletions(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index deda677..07a1c90 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -2374,10 +2374,14 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, dist
# calculate the shear number
print(" ... ... Computing the shear number")
- shear = shear_number(barrel_struct, show_path = False)
- if shear is not None:
- print(' ... ... ... Shear: {}'.format(shear))
- else:
+ try:
+ shear = shear_number(barrel_struct, show_path = False)
+ if shear is not None:
+ print(' ... ... ... Shear: {}'.format(shear))
+ else:
+ print(' ... ... ... Error: Not possible to compute the shear number')
+ except:
+ shear = None
print(' ... ... ... Error: Not possible to compute the shear number')
# calculate a (the distance between two adjacent CA assuming they are in the same line defined by the strand)
--
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