凤凰。mr_rosetta:用Phenix和Rosetta进行分子替换和模型重建。

Thomas C Terwilliger, Frank Dimaio, Randy J Read, David Baker, Gábor Bunkóczi, Paul D Adams, Ralf W Grosse-Kunstleve, Pavel V Afonine, Nathaniel Echols
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引用次数: 128

摘要

结构建模算法与晶体结构测定算法的结合,拓宽了分子置换法测定结构的模板范围。phoenix中的自动化工具。mr_rosetta通过集成Phenix晶体学算法和Rosetta结构建模算法,并通过系统地生成和评估这些方法组合的模型,简化了这些组合方法的应用。凤凰。Mr_rosetta算法可用于自动确定具有挑战性的结构。在凤凰中使用的方法。Mr_rosetta和一些例子一起描述了结构建模在分子替代中可以发挥的作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.

phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.

phenix.mr_rosetta: molecular replacement and model rebuilding with Phenix and Rosetta.

The combination of algorithms from the structure-modeling field with those of crystallographic structure determination can broaden the range of templates that are useful for structure determination by the method of molecular replacement. Automated tools in phenix.mr_rosetta simplify the application of these combined approaches by integrating Phenix crystallographic algorithms and Rosetta structure-modeling algorithms and by systematically generating and evaluating models with a combination of these methods. The phenix.mr_rosetta algorithms can be used to automatically determine challenging structures. The approaches used in phenix.mr_rosetta are described along with examples that show roles that structure-modeling can play in molecular replacement.

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