89 lines
2.9 KiB
Python
Executable file
89 lines
2.9 KiB
Python
Executable file
#!/usr/bin/env python3
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# -*- coding: utf-8 -*-
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"""
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Created on Wed Aug 19 14:33:51 2020
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@author: tanu
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"""
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#%% load packages
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import os,sys
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import subprocess
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import argparse
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import requests
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import re
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import time
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from bs4 import BeautifulSoup
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import pandas as pd
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from pandas.api.types import is_string_dtype
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from pandas.api.types import is_numeric_dtype
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#%%#####################################################################
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def submit_dynamut(host_url
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, pdb_file
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, mutation_list
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, chain
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, email_address
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, prediction_url
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, output_dir
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, outfile_suffix
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):
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"""
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Makes a POST request for dynamut predictions.
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@param host_url: valid host url for submitting the job
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@type string
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@param pdb_file: valid path to pdb structure
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@type string
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@param mutation_list: list of mutations (1 per line) of the format: {WT}<POS>{Mut}
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@type string
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@param chain: single-letter(caps)
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@type chr
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@param email_address: email address to inform of results
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@type chr
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@param prediction_url: dynamut url for prediction
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@type string
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@param output_dir: output dir
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@type string
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@param outfile_suffix: to append to outfile
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@type string
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@return writes a .txt file containing url for the snps processed with user provided suffix in filename
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@type string
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"""
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with open(pdb_file, "rb") as pdb_file, open (mutation_list, "rb") as mutation_list:
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files = {"wild": pdb_file
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, "mutation_list": mutation_list}
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body = {"chain": chain
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, "email": email_address}
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response = requests.post(prediction_url, files = files, data = body)
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print(response.status_code)
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if response.history:
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print('\nPASS: valid submission. Fetching result url')
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url_match = re.search('/dynamut/results_prediction/.+(?=")', response.text)
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url = host_url + url_match.group()
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print('\nURL for snp batch no ', str(outfile_suffix), ':', url)
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#===============
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# writing file: result urls
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#===============
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dynamut_temp_dir = output_dir + 'dynamut_temp/' # creates a temp dir within output_dir
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if not os.path.exists(dynamut_temp_dir):
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print('\nCreating dynamut_temp in output_dir', output_dir )
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os.makedirs(dynamut_temp_dir)
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out_url_file = dynamut_temp_dir + 'dynamut_result_url_' + str(outfile_suffix) + '.txt'
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print('\nWriting output url file:', out_url_file
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, '\nNow we wait patiently...')
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myfile = open(out_url_file, 'a')
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myfile.write(url)
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myfile.close()
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#%%#####################################################################
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