.:. Introduction to the JSpecView Applet
.:. Description
JSpecView is a viewer for spectral data in
the JCAMP-DX format. The
program was developed at the Department of Chemistry of the
University of the West Indies, Mona, Jamaica, WI and is being
released via
under the GNU
Lesser General Public License. It is written in JAVA and
requires at least JAVA 1.5, although development is currently with 1.6
The code is available under version control (subversion - svn) at
http://jspecview.svn.sourceforge.net/viewvc/jspecview/dev/
jspecview applet view |
jspecview application view |
.:. The use of JSpecView can best be seen with some examples....
In the simplest example, JSpecView
is shown on a web page and JavaScript
functions are used to interact with it to toggle the display of
a grid or reverse the direction of the spectrum. In addition, a callback
function is used to determine the position where the user clicked on
the spectrum.
More sophisticated examples include the use of the
Open Source applet Jmol to
display molecular graphics and the two applets are able
to interact using JavaScripts.
-
IR spectra and displays of vibrational modes
-
MS spectra and animations of fragmentations
-
NMR spectra and displays of links to molecular structure
-
GCMS hotlinked chromatograms
One simple way of displaying spectra or molecular graphics on-line is to pass
the file names as parameters to web pages set up specifically for this purpose.
For JSpecView this can be done with a call like:
<a href="Jmol/examples/JDXdisplay.html?script=load%20Crspectra.jdx; interface overlay">spectrum</a>
This page (Jmol/examples/JDXdisplay.html)
can be used to load local files of spectra in JCAMP-DX format as well if Java
security permissions allow it.
Similarly for Jmol the call might be:
<a href="Jmol/examples/Jmoldisplay.html?script=load%20pinene.mol;background%20white;zoom%20120;frank%20off;set%20echo%20top%20center;echo%20pinene">
molecule</a> Once again the page (Jmol/examples/Jmoldisplay.html)
is available for viewing local files (assuming Java permissions allow it).
.:. Further example web pages using JSpecView and web page coding:
Check the
JSpecView sourceforge project page for the last announcements
and
sign up for the users mailing list to get further information and
contribute to the discussion.
To download the jar files or source code, visit the Sourceforge Subversion
Pages.
Copyright © 2007 by The University of the
West Indies, all rights reserved.
Created November 2007. Links checked and/or
last modified 6th December 2007.
For further information contact Prof. R.J.
Lancashire, Department of Chemistry, UWI, Mona, Kingston 7,
JAMAICA, (robert.lancashire@uwimona.edu.jm)