Re: [Cdk-devel] Stereochemistry and isomorphism

[Stefan K. <ste...@un...>]

Am Tuesday 16 January 2007 17:54 schrieb Kai Hartmann:
> Hi all,
>
> I would like to test two AtomContainers for identity *including*
> stereochemistry. Searching for methods, one thing I found is
> geometry.BondTools described in a cdk new article by Stefan. However, I
> don't think this helps here.
>
> Anything I overlooked? Any suggestions?
Gemeratomg inchis and comparing these.
Stefan
>
> Kai

--=20
Stefan Kuhn B. Sc. M. A.
Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de)
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