改进了立体图的坐标重建

Journal of molecular graphics Pub Date : 1996-06-01 DOI:10.1016/S0263-7855(96)00055-0

Rob W.W. Hooft, Gerrit Vriend

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引用次数: 4

摘要

一个程序已经编写，重建三维坐标的蛋白质结构给定的立体c - α图。初始三维坐标的确定使用了一种类似于Rossmann在STEREO程序中使用的算法。然后对坐标进行细化，使重建三维坐标的立体图像与扫描立体图像最拟合，同时执行正态Cα立体化学。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Improved coordinate reconstruction from stereo diagrams

A program has been written that reconstructs three-dimensional coordinates for a protein structure given a stereo C_α diagram. Initial three-dimensional coordinates are determined using an algorithm similar to the one used by Rossmann in the program STEREO. Thereafter the coordinates are refined such that the stereo image based on the reconstructed three-dimensional coordinates optimally fits the scanned stereo image while normal C_α stereochemistry is enforced.

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Journal of molecular graphics

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