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首页> 外文期刊>Acta crystallographica. Section D, Structural biology >Pairwise running of automated crystallographic model-building pipelines
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Pairwise running of automated crystallographic model-building pipelines

机译：成对运行自动化的晶体模型管道

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For the last two decades, researchers have worked independently to automate protein model building, and four widely used software pipelines have been developed for this purpose: ARP/wARP, Buccaneer, Phenix AutoBuild and SHELXE. Here, the usefulness of combining these pipelines to improve the built protein structures by running them in pairwise combinations is examined. The results show that integrating these pipelines can lead to significant improvements in structure completeness and R_(free)- In particular, running Phenix AutoBuild after Buccaneer improved structure completeness for 29% and 75% of the data sets that were examined at the original resolution and at a simulated lower resolution, respectively, compared with running Phenix AutoBuild on its own. In contrast, Phenix AutoBuild alone produced better structure completeness than the two pipelines combined for only 7% and 3% of these data sets.
机译：过去的二十年里,研究人员工作独立自动蛋白质模型建立,和四个软件管道已经广泛使用为此开发了:ARP /扭曲,海盗,凤凰自动构建和SHELXE。这些管道相结合的改进在成对蛋白质结构通过运行它们检查组合。集成这些管道会导致显著改善结构完整性和R_(免费)—特别是,运行凤凰海盗改进后自动构建结构完整性的29%和75%数据集在最初的检查在模拟低分辨率,分辨率和分别与运行的绝代佳人自动构建的。自动构建单独产生更好的结构比两个管道结合完整性只有7%和3%的这些数据集。

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