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Functions | Variables
cal_NBR_radius Namespace Reference

Functions

def parse_res_lines (lines, nres)
 

Variables

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

Function Documentation

◆ parse_res_lines()

def cal_NBR_radius.parse_res_lines (   lines,
  nres 
)

Variable Documentation

◆ argv

cal_NBR_radius.argv = sys.argv

◆ current_res

cal_NBR_radius.current_res = 1

◆ inp

cal_NBR_radius.inp = open(inputfile,'r')

◆ inputfiles

cal_NBR_radius.inputfiles = argv[1:]

◆ lines

cal_NBR_radius.lines = inp.readlines()

◆ masslst

dictionary cal_NBR_radius.masslst = {'C':12.0107, 'O':15.9994, 'N':14.00674, 'S':32.066, 'H':1.00794}

◆ res_num

cal_NBR_radius.res_num = int(line[22:26])

◆ reslines

list cal_NBR_radius.reslines = []