From b977680cda7b5b26e9db433289055ccab3cd8231 Mon Sep 17 00:00:00 2001
From: JoanaMPereira <pereira.joanam@gmail.com>
Date: Tue, 26 Mar 2024 09:44:41 +0100
Subject: [PATCH] it now saves the data on the go so that it does not analyse
what was previously analysed
---
barrOs_library.py | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/barrOs_library.py b/barrOs_library.py
index a143c35..fd7acb0 100644
--- a/barrOs_library.py
+++ b/barrOs_library.py
@@ -10,7 +10,7 @@ import threading
import itertools
import os
import sys
-import json
+import pickle
import warnings
warnings.filterwarnings("ignore")
@@ -2311,10 +2311,10 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
outmultimeric = "multimeric_barrel_sequences_matched_pdbs_job{}.fasta".format(job_number)
outmt = open(outmultimeric, 'w')
- outdata = "barrels_matched_pdbs_data_job{}.fasta".format(job_number)
+ outdata = "barrels_matched_pdbs_data_job{}.pickle".format(job_number)
if os.path.isfile(outdata):
- data = json.load(open(outdata, 'r'))
+ data = pickle.load(open(outdata, 'rb'))
else:
data = {'PDBs': [],
@@ -2532,7 +2532,7 @@ def run_barros(arguments, offset = 1, step = 2, local_angle_threshold = 25, max_
save_hairpins(pdb_sequence, pdb_file, barrel_topology, chains=chains, outfolder='hairpins')
# save intermediate collected data
- json.dump(data, open(outdata, 'w'), indent=4)
+ pickle.dump(data, open(outdata, 'wb'))
else:
--
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