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A PRELIMINARY STUDY ON THE DETERMINATION OF INTEGRAL RADIUS IN MOLECULAR REPLACEMENT METHOD
对分子置换法中积分半径选取方法的探讨

Keywords: Integral radius Patterson vectors Molecular replacement method
分子置换法
,帕特逊函数,旋转函数,积分半径

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Abstract:

Based upon the analysis on the distribution of Patterson vectors in unit cell, the rationality of chooosing integral radius according to the dimensions of model unit was discussed. A detailed process of estimating integral radius was also described. It was pointed out that the ranges of integral radius are different for self rotation and cross rotation calculation.The method was applied to the studies of B form monoclinic insulin crystal and DHI crystal.This method was proved to be reliable by the results.

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