Re: [BlueObelisk-SMILES] Whew! This is tricky! SMILES /C=C/ question.

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

Hi Bob,

On Mon, Jun 7, 2010 at 6:26 AM, Robert Hanson <ha...@st...> wrote:
> So one question I have is whether this is the best way to validate. Are
> there CDK routines that do this as well?

No, the CDK does currently not read double bond stereochemistry from
SMILES yet :(

Egon

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