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Is stereochemistry supported?

Open rapodaca opened this issue 11 years ago • 1 comments

I recently found Helium and it looks very useful, especially with its SMIRKS support.

However, in using the Python interface, it looks like stereochemistry isn't supported:

>>> smiles = Smiles()
>>> m = Molecule()
>>> smiles.read('C[C@H](Cl)CCN', m)
True
>>> smiles.write(m)
'CC(Cl)CCN'

Is this just the Python interface, or does stereochemistry remain to be implemented?

rapodaca avatar Nov 27 '14 18:11 rapodaca

Stereochemistry will be supported in the next release as one of the major new features. Not sure when this will be but hope to get this done in the first quarter of 2015.

timvdm avatar Dec 04 '14 00:12 timvdm