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main.py
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main.py
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#!/usr/bin/env python3
# Sgourakis Lab
# Author: Santrupti Nerli
# Date: February 2, 2018
# Email: snerli@ucsc.edu
#
# Load the Rosetta commands for use in the Python shell
from pyrosetta import *
#custom libraries
from model import MODEL
from input_output.input.argparser import ARGPARSE
from database.HLA_sequences_180 import hla_sequences_180
from database.HLA_sequences_complex import hla_sequences
# import other required libraries
import os
import sys
import subprocess
'''
Main is the entry point of RosettaMHC
'''
# method to run the RosettaMHC protocol
def run():
args = ARGPARSE()
if args.is_list_mhcs() == True:
if not args.is_no_trim_mhc_flag_set():
for key,value in hla_sequences.items():
print(key)
else:
for key,value in hla_sequences_180.items():
print(key)
else:
# Load Rosetta database files
init(options='')
modeller = MODEL(args)
modeller.model_mhc_for_each_peptide_beta2m_tcr_chaperone()
if __name__ == "__main__":
run()