#!/usr/bin/env python

from rdkit import RDConfig
import os , sys
from rdkit import Chem
from rdkit.Chem import Draw , AllChem

suppl = Chem.SDMolSupplier()

if sys.argv[1].endswith( '.sdf' ) :
    suppl = Chem.SDMolSupplier( sys.argv[1] )
elif sys.argv[1].endswith( '.smi' ) :
    suppl = Chem.SmilesMolSupplier( sys.argv[1] )
else :
    print 'Need a file ending in .sdf or .smi'
    exit( 1 )

for mol in suppl:
    print mol.GetProp( '_Name' )
    fn = mol.GetProp( '_Name' ) + '.png'
    AllChem.Compute2DCoords( mol )
    Draw.MolToFile( mol , fn )