I was just testing 2d and 3d to make sure that was not the issue.

OK, I see that for, ":smiles:CCOCC") also. 

Does that mean that search is essential for the sync - i.e. you cannot load a local server molfile into Jmol/JSpecView is a sync state?

The back door is not essential for me going to PubChem. For Resolver calls involving NIST, I need to do this. I'm not pulling IR and MS spectra from structured data files. I'm poking around NIST webpages, and the whole process is pretty nutty. Fortunately, NIST web pages are fairly structured.


Otis Rothenberger

On Feb 7, 2014, at 10:59 AM, Robert Hanson <> wrote:

Otis, I think the problem is that you expect to be able to use all the back doors you are used to using. In this case you are constructing your own simulation url and hoping that is all you need. If you do that, then you would have to follow exactly what the JSME applet does when it delivers a 2D file to Jmol. But you aren't doing that.  You are just loading the file into Jmol.

So one problem is that what ends up in Jmol is a 2D file. Surely you do not want that, right?

Notice that when I go to your site and enter this in the developer console:, ":caffeine")

I get the desired result. Or, for example:, ":smiles:CCOCC")

What is the role of the hidden JSME app?


Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN

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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