On the handling of atomic anisotropic displacement parameters

被引：48

作者：

Grosse-Kunstleve, RW ^{[1
]}

Adams, PD ^{[1
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2002年 / 35卷

关键词：

D O I：

10.1107/S0021889802008580

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A number of conventions for the parameterization of atomic anisotropic displacements are used in the literature and in crystallographic programs. Here we summarize the commonly used conventions, with a special emphasis on their application in macromolecular crystallography. We then describe a new software toolbox for the handling of the various parameterizations of atomic anisotropic displacements and their interconversion. All algorithms are integrated into the freely available Computational Crystallography Toolbox.

引用

页码：477 / 480

页数：4

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