#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Fri Feb 12 12:15:26 2021 @author: tanu """ import os homedir = os.path.expanduser('~') os.chdir (homedir + '/git/LSHTM_analysis/dynamut') from get_results import * from submit import * #%%##################################################################### #EXAMPLE RUN for different stages #===================== # STAGE: submit.py #===================== my_host = 'http://biosig.unimelb.edu.au' my_prediction_url = f"{host}/dynamut/prediction_list" print(prediction_url) my_outdir = homedir + '/git/LSHTM_analysis/dynamut' my_chain = 'A' my_email = 'tanushree.tunstall@lshtm.ac.uk' my_pdb_file = homedir + '/git/Data/streptomycin/input/gid_complex.pdb' my_mutation_list = homedir + '/git/LSHTM_analysis/dynamut/example_input/snp_test1.csv' my_suffix = 'gid_test1' #---------------------------------------------- # example 1: 2 snps in a file #---------------------------------------------- submit_dynamut(host_url = my_host , pdb_file = my_pdb_file , mutation_list = my_mutation_list , chain = my_chain , email_address = my_email , prediction_url = my_prediction_url , output_dir = my_outdir , outfile_suffix = my_suffix) #%%################################################################### #===================== # STAGE:get_results.py #===================== my_host = 'http://biosig.unimelb.edu.au' my_outdir = homedir + '/git/LSHTM_analysis/dynamut' #---------------------------------------------- # example 1: multiple urls in a single file #---------------------------------------------- my_url_file_multiple = homedir + '/git/LSHTM_analysis/dynamut/dynamut_temp/dynamut_result_url_batch_multiple.txt' print(my_url_file_multiple) my_suffix = 'multiple' get_results(url_file = my_url_file_multiple , host_url = my_host , output_dir = my_outdir , outfile_suffix = my_suffix) #---------------------------------------------- # example 2: single url in a file #---------------------------------------------- my_url_file_single = homedir + '/git/LSHTM_analysis/dynamut/dynamut_temp/dynamut_result_url_batch_single.txt' print(my_url_file_multiple) my_suffix = 'single' get_results(my_url_file_single , host_url = my_host , output_dir = my_outdir , outfile_suffix = my_suffix) #%%###################################################################