research papers
The subtraction of the contribution of already positioned molecules from an observed Patterson map has proved to be useful for the determination of the correct orientation of the remaining molecules in the asymmetric unit of the crystal cell. For this purpose, a new procedure that incorporates a difference Patterson map in the evaluation of a vector-search rotation function has been developed.
Keywords: molecular replacement.
research papers
A fast method for fitting model electron densities into EM reconstructions is presented. This new procedure was inspired by a rigid-body refinement method used in macromolecular X-ray crystallography.