Re: [Jmol-users] Javascrirpt structure drawing

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

[found in my drafts box....]

Otis, this should work with the version of Jmol at
http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip:

set defaultLoadFilter "2D"

... then do the inline loading....

I've put up another demo in
http://chemapps.stolaf.edu/jmol/docs/examples-11/jsdraw that people can play
with if they wish to. Bugs I originally noticed included:

-- slightly (possibly) malformed SMILES strings [ "(=1)" should be just
"=1"]
-- no double-bond stereochemistry

but these have been fixed.

On Wed, Jun 30, 2010 at 12:57 PM, Otis Rothenberger
<osr...@ch...>wrote:

>  Phil,
>
> Installation is easy, but there is a limitation from my point of view.
> Installing it as a hidden movable object on a page does not seem to be an
> option. Its div tag does not seem to like tampering.  Here it is installed
> as a pop-up hooked to Jmol. I could not get the load filter 2D to work, so
> there is no stereochemistry carried to Jmol. I'm simply using minimize
> addHydrogens:
>
> http://chemagic.com/web_molecules/script_page_test.aspx
>
> The link to the JSDraw is at the top of the page.
>
> Basically, I like it, but the inability to make it pop up quickly as a
> small object on an existing page is a drawback.
>
> I was going to write to the Chemene about JME files, but that's an issue
> that Jmol developers should probably initiate.
>
>
> Otis
>
> Otis Rothenbergerchemagic.com
>
>
> On 6/30/2010 9:01 AM, Philip Bays wrote:
>
> I just got notification this morning of a new release of JSDraw -- a
> structure drawing program that exports SMILES with a nice interface, written
> completed in JavaScript.  I have not looked at it much yet, but it looks
> interesting.   Anyone else have any experience with it?
>
>  http://www.chemene.com:8080/web/jsdraw.aspx
>
>  Phil
>
>  J. Philip Bays
>
> Professor of Chemistry
>
> Science Hall 172
>
> Saint Mary's College
>
> Notre Dame  IN  46556
>
> (574) 284-4663
>
>
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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