High-resolution crystallographic map interpretation.

Oldfield TJ

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High-resolution crystallographic map interpretation.

机译：高分辨率的晶体图解释。

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摘要

This article describes a method for rapid interpretation of high-resolution crystallographic electron-density maps. The implemented algorithm searches for fragments of structure found in proteins and links these together to identify uniquely the atomic structure and sequence order of the atoms within a protein. The algorithm uses a two-dimensional sub-graph isomorphism method with a subsequent post-processing step to screen the results to find correct three-dimensional solutions to each search fragment. The final screening of ambiguous solutions found is performed using incomplete difference distance matrices. The algorithm has an intrinsic error-correction technique that is necessary for analysis of experimental data and should be applicable to a number of fields of bioinfomatics.

机译：本文介绍了一种快速的方法高分辨率的解释晶体电子密度图。实现了算法搜索的碎片这些结构中发现的蛋白质和链接一起来识别独特的原子原子结构和序列的顺序一种蛋白质。子图指出同构与随后的方法后处理步骤筛选结果找到正确的三维的解决方案搜索片段。发现执行使用不完整的解决方案不同距离矩阵。那是一种内在的纠错技术实验数据和分析的必要条件应该适用于许多领域bioinfomatics。

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《Acta crystallographica.Section D. Biological crystallography》 |2002年第2期|963-967|共5页
作者
Oldfield TJ;
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作者单位

Accelrys Inc., Department of Chemistry, University of York, Heslington, York YO10 5DD, England. tom@ysbl.york.ac.uk;

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原文格式 PDF
正文语种英语
中图分类化学;
关键词
algorithms; Map reading; CrystallographyAtomsNumber fieldCrystallization;

机译：算法;地图阅读;CrystallographyAtomsNumberfieldCrystallization;

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High-resolution crystallographic map interpretation.

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