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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Fast rotational matching of rigid bodies by fast Fourier transform acceleration of five degrees of freedom.
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Fast rotational matching of rigid bodies by fast Fourier transform acceleration of five degrees of freedom.

机译：快速转动的刚体匹配速度傅里叶变换加速度的五度自由。

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摘要

The 'fast rotational matching' method (an approach to find the three rotational degrees of freedom in matching problems using just one three-dimensional FFT) is extended to the full six-dimensional (rotation and translation) matching scenario between two three-dimensional objects. By recasting this problem into a formulation involving five angles and just one translational parameter, it was possible to accelerate, by means of fast Fourier transforms, five of the six degrees of freedom of the problem. This method was successfully applied to the docking of atomic structures of components into three-dimensional low-resolution density maps. Timing comparisons performed with our method and with 'fast translational matching' (the standard way to accelerate the translational parameters utilizing fast Fourier transforms) demonstrates that the performance gain can reach several orders of magnitude, especially for large map sizes. This gain can be particularly advantageous for spherical- and toroidal-shaped maps, since the scanning range of the translational parameter would be significantly constrained in these cases. The method can also be harnessed to the complementary surface (or 'exterior docking') problem and to pattern recognition in image processing.
机译：快速旋转匹配的方法(一个方法找到三个转动自由度在使用一个匹配问题三维FFT)扩展六维(旋转和翻译)匹配两个三维场景对象。制定涉及五个角度和只有一个平移参数,是可能的加速,通过快速傅里叶变换,五的六个自由度问题。原子结构的对接组件成三维低分辨率的密度地图。方法和“快速平移匹配”(加速转化的标准方法参数利用快速傅里叶变换)表明,性能可以达到好几个数量级,尤其是对于大型地图大小。便于球形,toroidal-shaped地图,因为的扫描范围平移参数显著在这些情况下的约束。被用来补充(或表面“外部对接”)问题和模式在图像处理识别。

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