| 对分子置换法中积分半径选取方法的探讨 |
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| 引用本文： | 刘志杰,梁栋材.对分子置换法中积分半径选取方法的探讨[J].生物物理学报,1995,11(2):139-143. |
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| 作者姓名： | 刘志杰 梁栋材 |
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| 作者单位： | 中国科学院生物物理研究所生物大分子国家重点实验室 |
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| 基金项目： | 国家自然科学基金,中国科学院八五重大项目资助 |
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| 摘 要： | 通过对晶胞中帕特逊向量的统计分布的研究，从理论上阐述了根据模型结构单元的线度确定旋转函数的积分半径这种作法的合理性，并且指出了估算积分半径取值范围的具体方法，以及自身旋转函数与交叉旋转函数的积分半径取值范围的区别。经过我们将此方法应用于酚胰岛素Ｂ链羰端六肽胰岛素的旋转函数求解，计算结果证实了这种积分半径的估算方法的可靠性。
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| 关 键 词： | 分子置换法 帕特逊函数 旋转函数 积分半径 |
A PRELIMINARY STUDY ON THE DETERMINATION OF INTEGRAL RADIUS IN MOLECULAR REPLACEMENT METHOD |
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| Liu Zhijie, Liang Dongcai.A PRELIMINARY STUDY ON THE DETERMINATION OF INTEGRAL RADIUS IN MOLECULAR REPLACEMENT METHOD[J].Acta Biophysica Sinica,1995,11(2):139-143. |
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| Authors: | Liu Zhijie Liang Dongcai |
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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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| Keywords: | Integral radius Patterson vectors Molecular replacement method |
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