Bob,
I'm missing something here. I've tried the following with both 2D and 3D
molfiles. The correct model and spectrum load, but there is no sync.
Jmol.script(jmol, "load ../models.aspx?smi2sdf2d=" +
smilesEscape(model, 1));
var s = Jmol.getPropertyAsString(jmol, "extractModel");
Jmol.script(jsv, "load \"http://SIMULATION/MOL="; +
s.replace(/\n/g,"\\n") + "\"");
I have Info.viewSet = 1 for JSmol and JSpectView. I have Info.viewSet = 0 for
JSME. JSME is in a hidden div. If I don't want JSME involved, do I need to
remove it from the page? Do I need to run an actual sync script?
Your
js = Jmol._search;
Jmol._search = function(applet, query) {
unhideJSV();
js(applet, query);
}
seems to do it all - loading and syc. I'm missing something in this that does
the sync.
Otis
--
Otis Rothenberger
[email protected]
http://chemagic.com
On Feb 6, 2014, at 9:49 AM, Robert Hanson <[email protected]> wrote:
> You should just have to set
>
> Info.viewSet = 1
>
> in both applets. They sync automatically.
>
> Bob
>
>
>
> On Wed, Feb 5, 2014 at 9:11 PM, Otis Rothenberger <[email protected]>
> wrote:
> Bob,
>
> A while back I added a Resolver down detection to our model kit. This
> automatically switches us over to ChemSpider smiles to inchi and PubChem
> loading. Doing this keeps all of our database connections open - NIST, JME to
> Jmol load, etc. Everything works, albeit in the context of the PubChem
> database.
>
> I'm now trying to extend that coverage to nmr prediction. I can get the model
> and spectrum load, but I lose the Jmol to JSpecView connection. Here's what
> I'm doing:
>
> Jmol.script(jmol, "load ../models.aspx?smi2sdf2=" +
> smilesEscape(model, 1));
> // above loads Jmol model from PubChem
> var s = Jmol.getPropertyAsString(jmol, "extractModel");
> Jmol.script(jsv, "load \"http://SIMULATION/MOL="; +
> s.replace(/\n/g,"\\n") + "\"");
> //above loads ir spectrum into JSpectView
>
> So far so good. However, there is no peak/atom click connection be the two
> displays:
>
> http://chemistry.illinoisstate.edu/osrothen/jsmol/predictor.htm?res=pub&id=C[C@@H](O)CC
>
> Can you point me in the right direction to make the connection?
>
> I know you're not crazy about this approach, but I would like basic model kit
> functionality when Resolver is down. Models in the PubChem database are just
> fine for our small model homework exercises.
>
> Otis
>
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