Afterthought:
Phil, that's the neat thing about what Bob suggested. It takes "unique" SMILES
off the table.
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.com
On Jan 21, 2014, at 3:23 PM, Otis Rothenberger <[email protected]> wrote:
> Bob and Phil,
>
> Two responses here.
>
> Bob, Because I completely forgot about that option! Now that we have both
> JMSE and Jmol on each text page, that's the logical thing to do.
>
> Phil, "Unique" SMILES in JSME is an option that must be set. BUT, and it's a
> big BUT, this does not work for stereo SMILES - just non-stereo SMILES. There
> may have been a recent change in this, but I don't think so.
>
> Otis
>
>
>
> --
> Otis Rothenberger
> [email protected]
> http://chemagic.com
>
>
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