#!/usr/bin/python
import os, string, sys, time
from openeye.oechem import *

try:
    molfold = os.listdir(sys.argv[1])
    molfold.sort()
except IndexError:
    print '\Usage: a1_create_sdf_from_fold.py folder(unpacked from KEGG-website)\n'
    raise SystemExit()

ifs = oemolistream()
ifs.SetFormat(OEFormat_SDF)
time_tup = time.gmtime()
ofs = oemolostream()
ofs.SetFormat(OEFormat_SDF)
ofs.open('a1_'+sys.argv[1]+'_'+str(time_tup[1])+str(time_tup[0])+'.sdf')

for file in molfold:
    ifs.open(sys.argv[1]+'/'+file)
    for mol in ifs.GetOEMols():
        mol.SetTitle(file[:-4])
        OEPerceiveChiral(mol)
        OEWriteMolecule(ofs, mol)
        ifs.close()

ofs.close()