The Crystallography Centre at NUI,
Galway is dedicated to the determination of molecular structure by
x-ray diffraction techniques.
Our interests range from Protein crystallography through Small
molecules and Powder diffraction
to crystal structure prediction. Powder diffraction work for
industry is undertaken on a regular basis
The centre has developed an integrated WINDOWS software system, Oscail,
for small molecule structure determination and visualisation which
uses SHELX-S and SHELX-L, ORTEX and Raster3D. Software for the
simulation of POWDER patterns has also been developed. This software
(free to non-profit academics) is currently in use in many
crystallographic groups worldwide.