__author__ = "Magdalena A. Jonikas"
__version__ = "1.0"
__doc__ = """Example 8, part A. 1ZZN using a C3' coarse grain representation. Generating a working library of full atomic fragments""" 

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

t0 = time.time()
fm.findMatches(templateTrace = '1ZZN-C3.pdb',
                  centerAtoms = ["C3'"],
                  fragmentFile = '1ZZN-FD.txt',
                  conversionData = open('../baseConvert.pkl'),
                  searchStructureFile = '../1N32.pdb',
                  nhradius = 0.2,
                  hradius = 0.2
                 )

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