Department of Computer Science, University of York, Heslington, York YO10 5GH, England.
Department of Chemistry, University of York, Heslington, York YO10 5DD, England.
Acta Crystallogr D Struct Biol. 2019 Dec 1;75(Pt 12):1119-1128. doi: 10.1107/S2059798319014918. Epub 2019 Nov 22.
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 R/R 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.
对四种蛋白质建模管道(ARP/wARP、Buccaneer、PHENIX AutoBuild 和 SHELXE)进行了比较,使用了 202 个实验相数据,数据分别以观察到的和截断的形式进行模拟,以模拟更低的分辨率。所有管道均使用默认参数运行。此外,还使用 Buccaneer 的模型完成了 ARP/wARP 的运行。所有管道在 1.2 到 1.9 Å 的分辨率下都实现了几乎完整的蛋白质结构和低 R/R,其中 PHENIX AutoBuild 和 ARP/wARP 产生的 R 因子略低。在较低的分辨率下,Buccaneer 生成的模型更为完整。