On Thu, Sep 16, 2010 at 10:31 AM, Otis Rothenberger
<osrot...@chemagic.com>wrote:
> Bob,
>
> Thanks, I think the solution to our ion display issues can be resolved
> with the information you sent. On your one question (end of this email),
> I expected the Jmol default to be reported as the atom charge defaults -
> not the surface charge defaults. This is not a big issue, particularly
> in light of your subsequent suggestions.
>
> A question that perhaps I should post in another chain, but I'll list it
> quickly here: Our Spartan files always load with the X axis
> perpendicular to the screen. The coordinate rendering correlates exactly
> to the Spartan file coordinates, but unlike molfiles Jmol loads Spatan
> files with the Z axis in the plane of the screen. Is this a bug in the
> reader?
>
It's suppose to load with the same orientation to the viewer that the user
left it in when saved with Spartan. Is it not doing that? Rotate the model
in Spartan, save it, and load it into Jmol. Doesn't it appear the same as
how you saved it? Jmol is supposed to be reading the orientation from the
Spartan file and reproducing that.
Bob
> Otis
>
> Otis Rothenberger
> chemagic.com
>
>
> >
> > so you have two ranges -- the actual data (shown first) and the range
> > you have designated (or Jmol has chosen by default) for the color
> > range from one end to the other of the color scheme. Is it reporting
> > something different than you expect?
> >
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
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and start using them to simplify application deployment and
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