#!/usr/bin/env python

__author__ = "Randall J. Radmer"
__version__ = "1.0"
__doc__ = """Script to run first part of c2a calcs (find matches and build database)."""


import sys, time
import c2a_findMatches as fm

t0 = time.time()
fm.findMatches(templateTrace = '6TNA-PC3C2.pdb',
                  centerAtoms = ["P  ", "C3*", "C2 "],
                  fragmentFile = '6TNA-FD.txt',
                  conversionData = open('baseConvert.pkl'),
                  searchStructureFile = '1N32-subA.pdb',
                  nhradius = 0.1,
                  hradius = 0.1
                 )

sys.stdout.write("Total run time: %.1f Sec\n" % (time.time()-t0))