Thanks
On 16 August 2011 18:11, Geoffrey Hutchison <[email protected]>wrote:
> > I would like to determine if 2 functional groups are within 1 atom from
> each other.
>
> My suggestion would actually be a modified SMARTS using the "*" character
> for the one atom. For example:
>
> [O*O] # matches two oxygens bonded to the same atom
> [O**O] # matches two oxygens on neighboring atoms
>
> Hope that helps,
> -Geoff
--
Regards/Groete/Mit freundlichen Grüßen/recuerdos/meilleures salutations/
distinti saluti/siong/duì yú/привет
Jurgens de Bruin
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