Re: [Jmol-users] Spectra Predict Again

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

What 2D conversion? I thought you had JSME set aside.

The spectrum is coming from nrmdb, at EPFL, in Lausanne, Switzerland. That
service takes a MOL file but returns a *different* MOL file. So your
initial stucture in Jmol will be replaced.


On Fri, Feb 7, 2014 at 5:12 PM, Otis Rothenberger <osr...@ch...>wrote:

> Bob,
>
> I spent the day poking around, and I think I'm beginning to understand
> some of this. I do see how to get a local file into the triumvirate of
> applets with sync.
>
> Two  questions:
>
> Where is this coming from:
>
> Actelion Java MolfileCreator 1.0 FILE ???
>
> NMRDB.ORG ???
>
> I take it that this means that the 2D to 3D (JME to Jmol) via
> Jmol.updateView(false) is not going via Resolver. Is that correct?
>
> Otis
>
> --
> Otis Rothenberger
> ot...@ch...
> http://chemagic.com
>
>
>
>
>
>
>
>
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-- 
Robert M. Hanson
Larson-Anderson 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