David E. Richardson, Department of Chemistry
University of Florida, Gainesville, Florida 32611-7200
MolPOV
The molecular graphics images you see on my home page were produced by
using my molecular graphics program MolPOV, which provides an easy-to-use
interface between molecular structure files in the "Brookhaven PDB" format
and the Persistence of Vision Ray Tracer. The program works in Windows
95. The download page has lots of sample
images.
Go to the MolPOV
download page.
MCC
In our work on the
mass spectrometry of metal complexes, we often need to identify peaks that
have various charges and molecular compositions. When electrospray sources
are used, one can generate a number of ions that have different combinations
of metal, solvent, and ligands. I wrote Mass
Combination Calculator (MCC) to find all of the permutations of these
components that can give an observed mass/charge value. This program runs
in Windows 3.1(1) and Windows 95.
Go to the MCC1 download
page.
Kinetica98
Beta
The link below is for "Kinetica98b," which is a rough beta version of a
kinetics simulation program based on the Hichem
FORTRAN program developed at NBS (now NIST) and kindly provided by
Professor R. Hanrahan. It allows simulations of
mechanisms (i.e., concentrations/pressures vs. time) to be run as well
as the fitting of experimental data to a mechanism by a simplex
optimization of the rate constants. The latter function is not
available in other easy-to-use kinetics programs.
Go to the Kinetica98
Beta download and instructions page
Go to Richardson
Group Home Page
Go to Richardson
Group Research Interests