SaxsMDView:: a three-dimensional graphics program for displaying force vectors
SaxsMDView:: a three-dimensional graphics program for displaying force vectors
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DOI：
10.1107/s0909049508015951
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发表时间：
2008-09-01
影响因子：
2.5
通讯作者：
Kihara, Hiroshi
中科院分区：
文献类型：
--
作者：
Kojima, Masaki;Kezuka, Yuichiro;Kihara, Hiroshi
介绍了一种新的三维图形程序SaxsMDView。该程序执行一个三维图形表示蛋白质分子沿着与力矢量（或矢量势）施加到每个原子。显示的对象可以通过交互式鼠标操作在任意方向上旋转和平移。虽然SaxsMDView最初旨在可视化SAXS_MD的结果，SAXS_MD是一个先前开发的基于小角度X射线散射约束的受约束分子动力学的程序，但它也可以用于其他对象的图形表示，例如通过从头计算建模或在蛋白质分子周围诱导的溶剂位点偶极场矢量重建的粗粒度分子模型。文中还给出了程序的应用实例，包括用SAXS_MD对计算结果进行图解分析。
A new three-dimensional graphics program, SaxsMDView, is described. The program performs a three-dimensional graphical representation for protein molecules along with the force vector (or vector potential) applying to each atom. The displayed object can be rotated and translated in arbitrary directions by interactive mouse manipulation. While SaxsMDView was originally intended to visualize the result of SAXS_MD, a previously developed program based on the restrained molecular dynamics with small-angle X-ray scattering constraints, it can also be useful for graphical representation of other objects such as coarse-grained molecular models reconstructed by ab initio modelling or solvent site-dipole field vectors induced around the protein molecule. Some examples of the application of the program including the graphical analyses of the results with SAXS_MD are also presented.