Automated matching of high- and low-resolution structural models
Automated matching of high- and low-resolution structural models
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DOI：
10.1107/s0021889800014126
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发表时间：
2001-02-01
影响因子：
6.1
通讯作者：
Svergun, DI
中科院分区：
文献类型：
--
作者：
Kozin, MB;Svergun, DI
提出了一种点集表示的三维模型的自动最佳匹配对齐方法。引入归一化空间差异（NSD）作为三维对象之间的邻近度量。从惯性轴对齐开始，该算法最小化NSD; NSD的最终值提供了对象之间相似性的定量估计。该方法在计算机程序中实现。已经进行了模拟，以测试其性能的模型结构与指定数量的点，范围从几个到几千个。该方法可用于通过不同方法获得的结构模型的比较分析，例如高分辨率晶体原子结构和来自溶液散射或电子显微镜的低分辨率模型。
A method is presented for automated best-matching alignment of three-dimensional models represented by ensembles of points. A normalized spatial discrepancy (NSD) is introduced as a proximity measure between three-dimensional objects. Starting from an inertia-axes alignment, the algorithm minimizes the NSD; the final value of the NSD provides a quantitative estimate of similarity between the objects. The method is implemented in a computer program. Simulations have been performed to test its performance on model structures with specified numbers of points ranging from a few to a few thousand. The method can be used for comparative analysis of structural models obtained by different methods, e.g. of high-resolution crystallographic atomic structures and low-resolution models from solution scattering or electron microscopy.