Software at Chemistry, UWI-Mona

The following are some software packages developed here at Mona.

Titrations - This is now available from some ftp sites as well.
Boltzmann distributions simulation of random elastic collisions in a container.

This site contains hundreds of molecular graphics (MOL, PDB or XYZ format) and spectral data files (JDX format).

In addition to the use of a Web Browser plug-in from Molecular Design Limited, Information Systems, Inc. (MDL) the site makes use of two Open Source programs released from Sourceforge: Jmol and JSpecView.

Both MDL Chime and JSpecView include our code for viewing JCAMP-DX spectra and allows you to display IR, UV/Vis, NMR, GC, EMR and Mass Spec files.

Links to programmes for conversion of files from a PE 1605 FTIR and HP 5890 GC or GC/MS to JCAMP-DX are available as well.

COMICS for Windows. Solution Equilibrium Calculations.

In the C21J Inorganic Course, we have used a spreadsheet template to aid in the calculation of magnetic moments determined using the Gouy method.
With the advent of the WWW and forms, a page has now been set up to do this calculation in a Web browser.

For the C21J laboratory course we have developed some Java Applets to aid in the characterisation of transition metal spectra via Tanabe-Sugano diagrams. The spin-allowed and spin-forbidden lines have been plotted in a series of Excel Spreadsheets as well.

External links to Chemistry Software
ChemSketch and Spectroscopy software from ACDLabs + Molecular Design Limited, for ISIS Draw, CHIME etc.
Bio-Rad suite (KnowItAll formerly ChemWindow etc.) + RASMOL Home Page + CambridgeSoft + Accelrys Viewerlite
A P Benson (formerly Cherwell Scientific Publishing) + ChemSW -formerly Windowchem + ChemLab - fabulous!
Grams from Galactic + Nuts for NMR from Acorn + Mestre-C for NMR

Return to Chemistry, UWI-Mona, Home Page

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.

Created Sept 1994. Links checked and/or last modified 10th November 2015.
URL http://wwwchem.uwimona.edu.jm/software/index.html