Converts name to SMILES

name2smiles.py

import subprocess,sys

filename = sys.argv[1]
input = open(filename, "r+")
output = open(filename+".smiles", "w+")


for line in input:
    words = line.split()
    name = words[0]
    nameurl = name.replace("[","%5B")
    nameurl = nameurl.replace("]","%5D")
    url="https://cactus.nci.nih.gov/chemical/structure/"+nameurl+"/smiles"
    smiles = subprocess.check_output(['curl',url])
    str = name + " " + smiles
    output.write(str)
    output.write("\n")