Re: [Cdk-devel] CDK 1.4.x branch time?

[Egon W. <ego...@gm...>]

On Wed, Aug 11, 2010 at 4:24 PM, Rajarshi Guha <raj...@gm...> wrote:
>> Doing anything in this area will require a proper rethinking of the
>> bond types in the CDK data model...
>
> Didn't we use 1.5 as the bond order for aromatic bonds at one point?

Yes, and I was really happy we got rid of that :)

I was questioned earlier this week about the sense behind
SINGLE_OR_DOUBLE... perhaps it is indeed not the way to go... (bloody
SMILES)

Egon

-- 
Dr E.L. Willighagen
Post-doc @ Uppsala University (only until 2010-09-30)
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
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