Hi Soren,
On Mon, Mar 30, 2015 at 11:37 PM, Soren Wacker wrote:
>
> I am wondering how RDKit handles molecule conformations and stereo-isomers.
> E.G. when I generate a chiral molecule from a smiles string, where
> chirality is not explicated.
> Does RDKit generate a random conformation, or no s
Hi,
I am wondering how RDKit handles molecule conformations and stereo-isomers.
E.G. when I generate a chiral molecule from a smiles string, where chirality is
not explicated.
Does RDKit generate a random conformation, or no specific conformation in the
first place?
kind regards
Soren
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