Patterson oriented automatic structure determination: superposition pseudosymmetry

Abstract

An automatic structure determination method based on an interpretation of the Patterson function has been improved by utilizing information on superposition pseudosymmetry. This pseudosymmetry can be detected using MIF (multiple implication function) groups. A new method of structure determination based on an enantioselective cross-vector function and on a sum atomic minimum superposition is introduced. This new method seems to be suitable for equal-atom structures. The reliability and speed of the structure determination has been increased.