A generalized Patterson-search method

A procedure for Patterson search, or molecular replacement, is described in which the criteria of fit are based on matching the asymmetric unit of the entire Patterson function. In rotation search, the Patterson function is compared with the self-Patterson of the search model; in translation search, the comparison is with the full Patterson function of the search model. Significant features of the method are: (1) all overlaps of vector sets of neighboring molecules are taken into account; (2) all overlaps of the search model with neighboring copies are detected and the evaluation bypassed; and (3) the criteria of fit are flexible and can be expressed in either Patterson or reciprocal space.