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#!/usr/bin/env python3 | ||
# -*- coding: utf-8 -*- | ||
""" | ||
Created on Tue Jan 14 17:15:20 2020 | ||
@author: saint8312 | ||
""" | ||
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import pdb_processor as pdbp | ||
import feature_calculator as fc | ||
import time | ||
import multiprocessing | ||
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if __name__=="__main__": | ||
import json | ||
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with open('config.json') as json_data_file: | ||
conf = json.load(json_data_file) | ||
x_path = conf['root']['PP'] | ||
y_path = conf['index']['PP'] | ||
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complex_files = pdbp.list_files(x_path) | ||
id_name = complex_files[1] | ||
test_file = x_path+"/"+id_name | ||
chains = pdbp.loader_pdbbind(test_file) | ||
atom_types = ['C','N','O','S'] | ||
cutoff = 12 | ||
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print(chains, len(chains)) | ||
start_time = time.time() | ||
pool = multiprocessing.Pool() | ||
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x_vec = fc.x_processor_mp([chains, id_name, atom_types, cutoff, pool]) | ||
print(x_vec) | ||
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end_time = time.time() | ||
print('time elapsed =',end_time-start_time,'seconds') |