Predicting the performance of automated crystallographic model-building pipelines.

ABSTRACT: Proteins are macromolecules that perform essential biological functions which depend on their three-dimensional structure. Determining this structure involves complex laboratory and computational work. For the computational work, multiple software pipelines have been developed to build models of the protein structure from crystallographic data. Each of these pipelines performs differently depending on the characteristics of the electron-density map received as input. Identifying the best pipeline to use for a protein structure is difficult, as the pipeline performance differs significantly from one protein structure to another. As such, researchers often select pipelines that do not produce the best possible protein models from the available data. Here, a software tool is introduced which

SUBMITTER: Alharbi E 

PROVIDER: S-EPMC8647178 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature