Re: [Jmol-users] Jmol SMILES

[Robert H. <ha...@st...>]

Probably -- that was all designed before I had it able to do
stereochemistry. I should probably set that up now to allow proper
designations.

Bob

On Tue, Oct 17, 2017 at 2:45 PM, Otis Rothenberger <osr...@gm...>
wrote:

> Bob,
>
> I seem to recall that Jmol will sometimes include irrelevant @ characters
> in a SMILES - i.e. @ designating an achiral carbon. The SMILES is correct,
> but the @ is irrelevant.
>
> Am I correct in this recollection?
>
> Otis
>
> —
> Otis Rothenberger
> http://CheMagic.ORG
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900