Snippets

Biosig Lab Submission of prediction job for list of mutations - DynaMut2

Created by Carlos Miranda Rodrigues last modified
import argparse
import requests
import sys

URL = "https://biosig.lab.uq.edu.au/dynamut2/api/prediction_list"

def main(args):
    pdb_file = args.pdb_file
    mutations_list = args.mutations_list

    fs = {"pdb_file": pdb_file, "mutations_list":mutations_list}
    
    req = requests.post(URL, files=fs, data={})
    print(req.json())
    return True

if __name__ == "__main__":
    parser = argparse.ArgumentParser(description='Job submission for list prediction - DynaMut2')
    parser.add_argument('--pdb_file', dest='pdb_file', type=file, help='PDB file', required=False, default=None)
    parser.add_argument('--pdb_code', dest='pdb_code', type=str, help='4-digit PDB code', required=False, default=None)
    parser.add_argument('--mutations_list', dest='mutations_list', type=file, help='.txt or .csv file with mutation list. One mutation code per line (aaFrom + residueNumber + aaTo).', required=True)
    
    args = parser.parse_args()
    if args.pdb_code == None and args.pdb_file == None:
        print('usage: main.py [-h] [--pdb_file PDB_FILE] [--pdb_code PDB_CODE]')
        print('[--mutations_list MUTATIONS_LIST]')
        print('main.py: error: missing arguments: Please provide --pdb_file or --pdb_code')
        sys.exit(1)
    main(args)

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