I thought I would point out what I think will be a hugely valuable new
feature of Jmol, both Java and JavaScript (hereafter referred to as
J(S)mol). This is hot off the press, and in fact is being compiled into
JavaScript and uploaded as I write. For sure it needs testing.
see http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.12_2015.02.25.zip
J(S)mol can now pop up 2D images on call that appear in separate frames,
either as floating divs on a web page (HTML5) or in a stand-alone frame
(Java). These can be static images such as
*show IMAGE "whatever.gif"*
*select 1.1; show chemical drawing*
or they can be dynamic:
*show IMAGE 500 500*
Thus, if you have static resources, you can now pop them up (and close
them) at will. More interesting, though, is that one could send dynamic
information to a server and retrieve an image. I am just starting to think
about the possibilities -- RNA loop diagrams, 2D binding site layouts,
custom Ramachandran plots, MO diagrams, spectra -- what else?
I'm hoping this message initiates some brainstorming and experimentation
among this group. Right now J(S)mol taps into the NCI Resolver for
structure drawings. For example, displaying
http://cactus.nci.nih.gov/chemical/structure/taxol/image for
*load $taxol*
*show drawing*
Q: What other resources are out there that could be pulled up with an ID or
SMILES string?
Bob
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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