机构地区: 广西大学数学与信息科学学院
出 处: 《广西科学》 2013年第2期132-136,共5页
摘 要: 基于蛋白质三维结构数据PDB,给出一种蛋白质残基重心的计算方法,同时阐述该方法的python语言的实现过程.该方法不需要知道残基侧链原子的坐标,只需知道主链上原子的坐标即可计算蛋白质残基间的距离. In some applications such as protein structure prediction or molecular docking, distances between pairs of residues play an important role. Actually, this distances are those between pairs of residue centroids. This paper describes in detail an algorithm of how to calculate the residue centroids and its implement with python programming language.
领 域: [自动化与计算机技术] [自动化与计算机技术] [生物学]