The surefire way is to convert the molecule to compare against to smiles.
See tutorial
http://openbabel.org/wiki/Tutorial:Fingerprints
On Fri, Mar 30, 2012 at 2:40 AM, Jochen Schreiber wrote:
> Hello guys,
>
> is it possible to get the tanimoto similarity between two sdfs with obabel?
>
> Greetz
Hello guys,
is it possible to get the tanimoto similarity between two sdfs with obabel?
Greetz
Jochen
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