分子置換法における並進関数の諸問題

概要

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The molecular replacement method consists of the three consecutive stages : (1) determination of the orientation of the molecule in the crystal, (2) determination of the position of the molecule and (3) solution of the phase problem.<BR>The problem in the first stage was solved almost satisfactorily by using the rotation function first developed by Rossmann and Blow and recently improved by Crowther.<BR>In the second stage, the problem was not always solved satisfactorily because of several theoretical and/or computational drawbacks inherent to the translation function.<BR>Lack of efficient translation functions of universal applicability prevented the po-tentially much more powerful molecular replacement method from being popular in the structure determinations of macromolecules.<BR>A case of a known model structure is discussed, considering the origins of inefficacy of the translation functions proposed so far, and a new powerful translation function which is highly efficient in computation is proposed.
日本結晶学会の論文