Hi Greg,
It has been a long time since I have done things like this with a Smarts
based transformation. You are right, I forgot the specification for the
double bond on the other side. If you add it, there isn't any change in
the output on my side.
I am using the most recent release of RDKit
Hi Matthew,
On Wed, Nov 12, 2014 at 12:24 AM, Matthew Lardy mla...@gmail.com wrote:
What I hope is a quick question. I have a smiles string of a compound
with an exo-double bond that does not specify E or Z. I want to take these
geometry unspecified smiles strings and force one
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