JCAMP-DX files with CHIME script links to MOL/PDB
files
If you need a
simple loader for opening and viewing
files in CHIME then try this piece of JavaScript.
CHIME 1 or CHIME 2 (will work on a MAC)
The following examples should work on a MAC or PC with CHIME 1 or
2, since they use Javascripts and image maps to mimic the links
now possible between spectra and molecular graphics display in
CHIME 2 on a PC.
Only a few examples have been created:
CHIME 2+
To access the remainder of the pages you will need a PC running
Windows 95 (or later) or Windows NT/2000 and a web browser
(either Netscape or Internet Explorer) with the JavaScript option
enabled.
Next, you will need a copy of the MDL plugin CHIME version 2+ which has
our JCAMP-DX code
incorporated into it.
Some worked examples include:
A further 20 examples were mirrored
on the MDL web site as demonstrations for the release of CHIME 2.
To activate the interactive link, click on a peak with the left
mouse button, the right mouse button will display a pop up
menu.
During a workshop
at U Mass (Amherst) in June 1998, several examples were
prepared using CHIME with the idea of interpreting IR spectra by
generating animations for vibrational modes.
As a build up for ChemInt 99
the idea of showing fragmentation of molecules corresponding to
peaks in Mass Spectra was developed.
A combination of IR, NMR and MS
with CHIME links is available to show the spectral characterisation of propanol.
Other molecules are to follow when time allows.
Return to Chemistry,
UWI-Mona, Home Page
Created and maintained by Dr. Robert J.
Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Sept 1997. Links checked and/or last
modified 30th May 2001.
URL
http://wwwchem.uwimona.edu.jm:1104/spectra/chime/chime.html