Local squaring functions

(Carter; Roach)

This year has been very active on several fronts of importance to the ITR. We began the year with the publication of a paper describing the use of local squaring functions with nonspherical templates. This work introduced the use of quaternion representations of the rotation group to facilitate and enhance the sampling of rotation space for the placement of general structural templates in electron densities for crystal structure determination. The performance of this algorithm has proven surprisingly effective in automatic interpretation of electron density maps.