__author__ = "Magdalena A. Jonikas"
__version__ = "1.0"
__doc__ = """Example 1, part A. Use the C3' coarse grain template to generate working library of matches""" 

import sys, time
import simtk.c2a.c2a_findMatches as fm

t0 = time.time()
fm.findMatches(templateTrace = '6TNA-C3.pdb',
                  centerAtoms = ["C3*"],
                  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))