parts_ML_database_generation.py

import sys
import os

mapfiletxt = sys.argv[1]

with open(mapfiletxt, 'r') as txtfile:
    expmappdb_list = txtfile.readlines()[1:]

for expmappdb in expmappdb_list:
    # EMDB, PDB, Chain Ids, resolution and thresholding values
    expmappdb = expmappdb.rstrip()
    emdb = expmappdb.split('_')[0]
    resolution = expmappdb.split('_')[1]
    threshold = expmappdb.split('_')[2]
    # first normalize the map
    os.system('python3 ' + './normalize_map_for_parts_fiiting.py' + ' '
              + emdb + ' --thresh ' + threshold)
    # now extract side chain densities
    datbase_path = emdb + '_ML_side.dat'
    os.system('python3 ' + './get_database_for_one_emdb_using_parts.py' + ' '
              + emdb + ' ' + datbase_path + ' ' + resolution)