diff --git a/barrOs_library.py b/barrOs_library.py index a143c35d6eb8d17073e00993e0ae267ef8743ab9..fd7acb04acc9f5de2a57b2597cf1fb71c6091659 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: