[Cdk-user] Stereo Chem

[Syed A. R. <as...@eb...>]

Hi,

What is the best way to preserve the stereo chemistry in the CDK while converting an AtomContainer to SMILES and back (round trip)?

IAtomContainer=>SMILES=> IAtomContainer (leads to loss of stereo information)

Thanks,

Asad

PS: Attached is a molecule (L-Alanine) with Stereo centre.