Electronic Reprint Biological Crystallography Likelihood-enhanced Fast Translation Functions Biological Crystallography Likelihood-enhanced Fast Translation Functions
Electronic Reprint Biological Crystallography Likelihood-enhanced Fast Translation Functions Biological Crystallography Likelihood-enhanced Fast Translation Functions
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通讯作者：
A. Mccoy;R. Grosse-Kunstleve;L. C. Storoni;R. Read
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作者：
A. Mccoy;R. Grosse-Kunstleve;L. C. Storoni;R. Read
本文的作者可以在自己的网站上加载此重印本，前提是保留此封面。未经IUCr事先书面许可，不得转载本文或将其存储在电子数据库等中。本文是最近一篇关于快速旋转函数的论文的伴侣[Storoni等人。该论文展示了最大似然旋转函数的泰勒级数展开如何导致改进的似然增强快速旋转函数。以类似的方式，它在这里示出了如何线性和二次泰勒级数展开和最小二乘近似的最大似然平移函数导致似然增强的平移函数，它可以通过FFT计算，并且比传统的相关系数快速平移函数对正确的平移更敏感。这些用于分子置换搜索的可能性增强的翻译目标已经在使用计算晶体学方法（cctbx）的程序Phaser中实现。
Author(s) of this paper may load this reprint on their own web site provided that this cover page is retained. Republication of this article or its storage in electronic databases or the like is not permitted without prior permission in writing from the IUCr. This paper is a companion to a recent paper on fast rotation functions [Storoni et al. which showed how a Taylor-series expansion of the maximum-likelihood rotation function leads to improved likelihood-enhanced fast rotation functions. In a similar manner, it is shown here how linear and quadratic Taylor-series expansions and least-squares approximations of the maximum-likelihood translation function lead to likelihood-enhanced translation functions, which can be calculated by FFT and which are more sensitive to the correct translation than the traditional correlation-coefficient fast translation function. These likelihood-enhanced translation targets for molecular-replacement searches have been implemented in the program Phaser using the Computational Crystallography Toolbox (cctbx).