You're correct : this feature requires communication with their servers. As
their package is released under the LGPL, I'd like to tweak the code to bypass
these features and use Jmol instead. Plus Jmol allows sketching in 3D which
their WebGL widget can not do. I don't know if it will work, but I'd like to
update 3D as the sketching progresses, as well as update the drawing when
modifications are performed through Jmol (this part is the easiest !)
-Paul
Le 26 juil. 2011 à 07:14, Robert Hanson a écrit :
> pps -- note that ChemDoodle has its own 3D tools that don't require Jmol. See
> http://web.chemdoodle.com/demos/2d-to-3d-coordinates
>
> However, I do note that for that you have to have a subscription (for
> anything at your site, that is, I think), an internet connection, and be
> using a webGL-enabled browser.
>
>
>
> On Tue, Jul 26, 2011 at 12:06 AM, Robert Hanson <[email protected]> wrote:
> ps -- the easiest way to load a MOL file with minimization if you know it is
> in 2D format is to use the 2D filter:
>
> load t.mol filter "2D"
>
> This tells Jmol that the 0s in the Z coordinate are just because the file is
> 2D, and Jmol should try to minimize the structure with added hydrogens.
> First, though, Jmol will tweak the coordinates a bit to deplanarize it in a
> relatively rational way. That probably does about as well as you will be able
> to do in Jmol from a 2D sketch.
>
> Bob
>
>
>
> On Mon, Jul 25, 2011 at 3:30 PM, Paul Pillot
> <[email protected]> wrote:
> After further testing, at Angel Herraez DIY pages :
> http://biomodel.uah.es/en/DIY/ ...
> I tried all the different sketchers, and they all give the same result with
> the 2-methylbutane : an hydrogen is missing. Same goes for C n°2 and 3 for
> 2,3 diméthybutane.
>
> JMEtoJmol on Otis Rothenberger's Chemagic website displays the correct
> molecule.
>
> -Paul
>
>
>
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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
>
>
>
> --
> 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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Research study explores the data loss prevention market. Includes in-depth
analysis on the changes within the DLP market, and the criteria used to
evaluate the strengths and weaknesses of these DLP solutions.
http://www.accelacomm.com/jaw/sfnl/114/51385063/
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