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Small Molecules

Powder Diffraction


Oscail Software



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.