Dear Jmol users,
http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm
Needs testing on iPads, iPhones, and Android tablet.
I have all file types loading now, I think, including direct tapping into
PubChem, NCI Resolver, and RCSB models and ligands all in Jmol and a
slightly adapted subset of ChemDoodle. No links should cause errors. (Still
waiting for one little hosting* *tweak at RCSB, which is requiring a bit of
indirect server action for keyword searches.)
In a Java applet environment, I can load PubChem models with charges (for
MEP) directly from PubChem using a great new service they are rolling out
soon. Most happy to beta test that for them! Interesting to compare the
results with NCI.
Full action requires a couple of files on a server. Which in this case is
at St. Olaf.
Paul Pillot and I are fast-tracking getting the rest of Jmol into an Object
JavaScript format. A bit tricky, but one problem will be history: No more
worry about waiting for the applet to load before sending it scripts. We'll
just cache them until the applet is ready, then send them off
automatically. That will be nice!
Bob
On Fri, Apr 13, 2012 at 12:03 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> OK. Please test!
>
> http://chemapps.stolaf.edu/jmol/chemdoodle/test2.htm
>
> -- adds loading of host-local file using
>
> MolGrabberJmol.loadFile(fileName,loadParams)
>
> of course, the loadParams business doesn't work with ChemDoodle, but
> perhaps it will supply reason to add such :)
>
> I notice that this does not work for machine-local (hard-drive-based)
> files in Chrome. I'm guessing that's a security setting.
>
> Also, actually, I couldn't get most of these to load into ChemDoodle. The
> CIF files seem to be unreadable in all cases, and when there is no WebGL,
> only MOL files are readable, not XYZ, PDB, or CIF.
>
> Kevin, now you have something to do! I'm hoping you can check that over
> and tell me what I'm doing wrong (actually, send me a corrected
> JmolCD.js!). Something odd in xxxInterpreters, I think. But I don't know
> what it would be.
>
> Bob
>
>
> --
> 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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