Hi Otis,
I'm on a MacBook Pro, 10.6.4, Safari 5.0.1.
On Aug 25, 2010, at 1:21 AM, Otis Rothenberger wrote:
>
> 1) Load (could be a slow load)
> http://chemagic.com/web_molecules/script_page_large.aspx
Actually quite fast - seconds.
> 2) Click The Molecule Editor link.
> 3) In the command field, type and run four commands (Run Script link):
>
> a) loadnih isooctane
loads
> b) namenih
2,2,4-Trimethylpentane
> c) smilesnih
CC(C)CC(C)(C)C
> d) smilesnih bullvalene
C1=CC2C3C=CC1C=CC23
with "isooctane" still in the window.
Looks good! It threw me at first that I had to hit the link to run rather than
hit return, but that was it. Cool work!
Best,
Frieda
>
> a) This should load "isooctane" (NIH goes with the industrial misnomer).
> b) This should echo the iupac name.
> c) This should echo the unique SMILES of "isooctane"
> d) With "isooctane" still in the window, this should echo the unique
> SMILES of bullvalene.
>
> Thanks in advance for any who are willing to try this. Bring on the bad
> news.
>
> Otis
>
> --
> Otis Rothenberger
> chemagic.com
>
>
>
>
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