Conformer search with RDKit

I'm teaching myself how to use RDKit.  Here is code for conformer search using RDKit that also computes the energy of each conformer using the MMFF94 force field.

Comments welcome

	#conformer search with RDKIT
	import sys
	sys.path.append("/usr/local/lib/python2.7/site-packages/")
	from rdkit import Chem
	from rdkit.Chem import AllChem
	m = Chem.AddHs(Chem.MolFromSmiles('CCCO')) #creates molecule from smiles and adds H's
	AllChem.EmbedMultipleConfs(m,20) #makes 20 3D conformations
	_=AllChem.MMFFOptimizeMoleculeConfs(m,maxIters=1000) #MMFF geometry optimization
	i = 0
	for conf in m.GetConformers():
	tm = Chem.Mol(m,False,conf.GetId())
	prop = AllChem.MMFFGetMoleculeProperties(tm, mmffVariant="MMFF94") #don't know
	ff =AllChem.MMFFGetMoleculeForceField(tm,prop) #defines FF
	print i,ff.CalcEnergy() #calculates and prints energy in kcal/mol
	file = "out"+str(i)+".sdf"
	writer = Chem.SDWriter(file) #writes sdf file for each confomer
	writer.write(tm)
	i += 1

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