From 493af75fd2a19f57444e4878f7e5dd342929ff04 Mon Sep 17 00:00:00 2001
From: JoanaMPereira <pereira.joanam@gmail.com>
Date: Thu, 21 Mar 2024 11:04:32 +0100
Subject: [PATCH] allow for ESM atlas identifiers
---
barrOs_library.py | 5 +++--
1 file changed, 3 insertions(+), 2 deletions(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index fa967fa..da22e1d 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -53,7 +53,7 @@ def print_hello():
print("\n WELCOME TO BARRoS v0 ")
print(" Let me find all barrels in your PDBs ")
print(" ")
- print(" Last change: 28.02.2023 Joana Pereira \n")
+ print(" Last change: 21.03.2024 Joana Pereira \n")
print(" Created at: MPI for Developmental Biology (Protein Evolution) ")
print(" Maintained at: Biozentrum (Protein Structural Bioinformatics) \n")
print("-------------------------------------------------------------------\n")
@@ -2376,7 +2376,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
else:
target_chains = None
else:
- if 'AF-' not in pdbID:
+ if 'AF-' not in pdbID and 'MGY' not in pdbID:
target_chains = [[pdbID.split('_')[0], chainID, pdb_file, protein_type, membrane_thickness]]
else:
try:
@@ -2385,6 +2385,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
target_chains = [[pdbID, chainID, pdb_file, protein_type, membrane_thickness]]
if pdb_file != 'not available' and protein_type != 'not available' and target_chains is not None:
+
if input_mode != 'all':
if protein_type != input_mode and delete:
os.system("rm {}".format(pdb_file))
--
GitLab