Chen Xi, Smelter Andrey, Moseley Hunter N B
Department of Molecular and Cellular Biochemistry, University of Kentucky, Lexington, KY 40536-0093, USA.
Department of Statistics, University of Kentucky, Lexington, KY 40536-0093, USA.
Nat Prod Commun. 2019 May;14(5). doi: 10.1177/1934578x19849142. Epub 2019 May 28.
We describe BaMORC, a software package that performs C chemical shifts reference correction for either assigned or unassigned peak lists derived from protein NMR spectra. BaMORC provides an intuitive command line interface that allows non-NMR experts to detect and correct C chemical shift referencing errors of unassigned peak lists at the very beginning of NMR data analysis, further lowering the bar of expertise required for effective protein NMR analysis. Furthermore, BaMORC provides an application programming interface for integration into sophisticated protein NMR data analysis pipelines, both before and after the protein resonance assignment step.
我们介绍了BaMORC,这是一个软件包,可对源自蛋白质核磁共振谱的已分配或未分配峰列表进行碳(C)化学位移参考校正。BaMORC提供了一个直观的命令行界面,使非核磁共振专家能够在核磁共振数据分析的最初阶段检测并校正未分配峰列表的碳化学位移参考误差,进一步降低了有效进行蛋白质核磁共振分析所需的专业知识门槛。此外,BaMORC提供了一个应用程序编程接口,以便在蛋白质共振分配步骤之前和之后集成到复杂的蛋白质核磁共振数据分析流程中。