Software at Chemistry, UWI-Mona

software logo

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 (testing JavaScript version).

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

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

Dr Bird logoReturn to Chemistry, UWI-Mona, Home Page

Copyright © 2015 by Robert John Lancashire, all rights reserved.

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.