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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >Multivariate phase combination improves automated crystallographic model building.
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Multivariate phase combination improves automated crystallographic model building.

机译：多变量相结合提高了自动化晶体模型构建。

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摘要

Density modification is a standard technique in macromolecular crystallography that can significantly improve an initial electron-density map. To obtain optimal results, the initial and density-modified map are combined. Current methods assume that these two maps are independent and propagate the initial map information and its accuracy indirectly through previously determined coefficients. A multivariate equation has been derived that no longer assumes independence between the initial and density-modified map, considers the observed diffraction data directly and refines the errors that can occur in a single-wavelength anomalous diffraction experiment. The equation has been implemented and tested on over 100 real data sets. The results are dramatic: the method provides significantly improved maps over the current state of the art and leads to many more structures being built automatically.
机译：密度修正是一个标准的技术大分子晶体学,可以显著提高初始电子密度地图。density-modified地图相结合。假设这两个映射方法独立和传播最初的地图信息和间接通过其准确性以前决定系数。多元方程导出,没有再假定初始之间的独立性和density-modified地图,认为观察到的衍射数据直接和改进的错误可能发生在单波长反常衍射实验。实现和测试超过100的真实数据集。提供显著提高地图了当前状态的艺术和导致更多的自动建造。

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