Percentile-based spread: a more accurate way to compare crystallographic models.

Pozharski E

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Percentile-based spread: a more accurate way to compare crystallographic models.

机译：百分比表示传播:一个更精确的方法比较晶体模型。

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摘要

The comparison of biomacromolecular crystal structures is traditionally based on the root-mean-square distance between corresponding atoms. This measure is sensitive to the presence of outliers, which inflate it disproportionately to their fraction. An alternative measure, the percentile-based spread (p.b.s.), is proposed and is shown to represent the average variation in atomic positions more adequately. It is discussed in the context of isomorphous crystal structures, conformational changes and model ensembles generated by repetitive automated rebuilding.

机译：的比较biomacromolecular晶体传统的基于结构均方根距离对应的原子。离群值的增加不成比例他们的分数。百分比表示(p.b.)传播,提出了显示平均变异的代表吗原子的位置更充分。在同晶型晶体结构的背景下,构象变化和模型的集合体由重复的自动重建。

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来源
《Acta crystallographica.Section D. Biological crystallography》 |2010年第9期|970-978|共9页
作者
Pozharski E;
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作者单位

University of Maryland, Baltimore, USA.;

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原文格式 PDF
正文语种英语
中图分类化学;
关键词
outliers; Root mean square; crystal structureCompareRebuildingisomorphous substitutionCrystallization;

机译：离群值,均方根;晶体structureCompareRebuildingisomorphoussubstitutionCrystallization;

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Percentile-based spread: a more accurate way to compare crystallographic models.

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