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Comparison of automated crystallographic model-building pipelines.
Acta Crystallographica Section D ( IF 2.2 ) Pub Date : 2019-12-03 , DOI: 10.1107/s2059798319014918
Emad Alharbi 1 , Paul S Bond 2 , Radu Calinescu 1 , Kevin Cowtan 2
Affiliation  

A comparison of four protein model‐building pipelines (ARP/wARP, Buccaneer, PHENIX AutoBuild and SHELXE) was performed using data sets from 202 experimentally phased cases, both with the data as observed and truncated to simulate lower resolutions. All pipelines were run using default parameters. Additionally, an ARP/wARP run was completed using models from Buccaneer. All pipelines achieved nearly complete protein structures and low Rwork/Rfree at resolutions between 1.2 and 1.9 Å, with PHENIX AutoBuild and ARP/wARP producing slightly lower R factors. At lower resolutions, Buccaneer leads to significantly more complete models.

中文翻译:

自动晶体学模型构建管道的比较。

使用来自202个实验阶段案例的数据集,对四个蛋白质模型构建管道(ARP / wARPBuccaneerPHENIX AutoBuildSHELXE)进行了比较,均观察到并删减了数据,以模拟较低的分辨率。所有管道均使用默认参数运行。此外,使用Buccaneer的模型完成了ARP / wARP运行。所有管道实现几乎完全的蛋白质结构和低[R工作/ [R免费的分辨率在1.2和1.9之间,PHENIX的AutoBuildARP/ wARP产生的R系数略低。在较低的分辨率下,Buccaneer可以使模型更加完整。
更新日期:2019-12-03
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