Re: [Cdk-devel] CDK Layout for cis.trans bonds

[E.L. W. <eg...@sc...>]

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On Tuesday 01 June 2004 10:13, Peter Murray-Rust wrote:
> What does CDK do with SMILES input for stereochemistry? is it stored in t=
he
> CDK molecule? If so I can potentially translate it.

Stereochemistry is currently disregarded.

There is no choice made how/where to store atom parities... Will make a=20
proposal right away...

Egon

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eg...@sc...
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
GPG: 1024D/D6336BA6

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