Protein Powder Diffraction Analysis with TOPAS
While various software packages exist to study powder patterns, few are accessible to beginners and yet remain highly customisable. In this paper we will give guidelines for biologists interested in analysing powder patterns of proteins with Topas. Several topics will be discussed, from basic methods like indexing on a restricted list of spacegroups, to advanced use of command input les for pattern modelling and rigid body renement.
Paolo Scardi and Robert E. Dinnebier
Y. Watier and A. N. Fitch, "Protein Powder Diffraction Analysis with TOPAS", Materials Science Forum, Vol. 651, pp. 117-129, 2010