Crystallography Centre
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 and crystal habit 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, Superflip, 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.
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