#!/usr/local2/bin/python2.3 import sys, os from openeye.oechem import * molfold = os.listdir(sys.argv[1]) molfold.sort() ifs = oemolistream() ifs.SetFormat(OEFormat_SDF) ofs = oemolostream() ofs.SetFormat(OEFormat_SDF) ofs.open(sys.argv[1]+'_012506.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()