cal_NBR_radius.py File Reference

Namespaces
	cal_NBR_radius

Functions
def	cal_NBR_radius.parse_res_lines (lines, nres)

Variables
	cal_NBR_radius.argv = sys.argv
	cal_NBR_radius.inputfiles = argv[1:]
dictionary	cal_NBR_radius.masslst = {'C':12.0107, 'O':15.9994, 'N':14.00674, 'S':32.066, 'H':1.00794}
	cal_NBR_radius.inp = open(inputfile,'r')
	cal_NBR_radius.lines = inp.readlines()
int	cal_NBR_radius.current_res = 1
list	cal_NBR_radius.reslines = []
	cal_NBR_radius.res_num = int(line[22:26])