QUATERNIONS AS A TOOL FOR THE ANALYSIS OF MOLECULAR-SYSTEMS

被引：4
|
作者：
KNELLER, GR [1 ]
机构：
[1] CENS,CEA,SBPM,DEPT BIOL CELLULAIR & MOLEC,F-91191 GIF SUR YVETTE,FRANCE
来源：
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1991年 / 88卷 / 11-12期
关键词：
D O I：
10.1051/jcp/1991882709
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Quaternions are generalized complex numbers and represent rotations in space as ordinary complex numbers represent rotations in a plane. In the context of molecular dynamics (MD) simulations they have been 'rediscovered' for the integration of the rotational equation of motion of rigid molecules since they allow one to write down these equations in a singularity-free form. In this paper applications to the analysis of molecular systems are described.
引用
收藏
页码：2709 / 2715
页数：7
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