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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >New model-fitting and model-completion programs for automated iterative nucleic acid refinement
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New model-fitting and model-completion programs for automated iterative nucleic acid refinement

机译：新model-fitting和model-completion项目自动迭代核酸提纯

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摘要

In the past decade many structures of nucleic acids have been determined, which have contributed to our understanding of their biological functions. However, crystals containing nucleic acids often diffract X-rays poorly. This makes electron-density interpretation difficult and requires a great deal of expertise in crystallography and knowledge of nucleic acid structure. Here, new programs called NAFIT and NABUILD for fitting and extending nucleic acid models are presented. These programs can be used as modules in the automated refinement system LAFIRE, as well as acting as independent programs. NAFIT performs sequential grouped fitting with empirical torsion-angle restraints and antibumping restraints including H atoms. NABUILD extends the model using a skeletonized map in a coarse-grained manner. It has been shown that NAFIT greatly improves electron-density fit and geometric quality and that iterative refinement with NABUILD significantly reduces the R free factor.
机译：在过去的十年里许多核酸结构酸已经确定,导致我们对他们的理解生物功能。通常含有核酸衍射x射线不佳。解释困难,需要一个伟大的在结晶学和大量的经验核酸结构的知识。项目叫做NAFIT NABUILD拟合和提出了延长核酸模型。这些程序可以作为模块的自动优化系统LAFIRE以及作为独立的程序。顺序分组拟合经验扭转角限制和antibumping限制包括H原子。模型使用场大病地图粗粒度的方式。NAFIT大大提高电子密度拟合和几何质量和迭代改进与NABUILD显著降低了R免费的因素。

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