Frazier Zachary, Xu Min, Alber Frank
Molecular and Computational Biology, Department of Biological Sciences, University of Southern California, 1050 Childs Way, Los Angeles, CA 90089, USA.
Computational Biology Department, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA.
Structure. 2017 Jun 6;25(6):951-961.e2. doi: 10.1016/j.str.2017.04.016. Epub 2017 May 25.
Cryo-electron tomography (cryo-ET) captures the 3D electron density distribution of macromolecular complexes in close to native state. With the rapid advance of cryo-ET acquisition technologies, it is possible to generate large numbers (>100,000) of subtomograms, each containing a macromolecular complex. Often, these subtomograms represent a heterogeneous sample due to variations in the structure and composition of a complex in situ form or because particles are a mixture of different complexes. In this case subtomograms must be classified. However, classification of large numbers of subtomograms is a time-intensive task and often a limiting bottleneck. This paper introduces an open source software platform, TomoMiner, for large-scale subtomogram classification, template matching, subtomogram averaging, and alignment. Its scalable and robust parallel processing allows efficient classification of tens to hundreds of thousands of subtomograms. In addition, TomoMiner provides a pre-configured TomoMinerCloud computing service permitting users without sufficient computing resources instant access to TomoMiners high-performance features.
冷冻电子断层扫描(cryo-ET)能够捕捉接近天然状态下大分子复合物的三维电子密度分布。随着冷冻电子断层扫描采集技术的迅速发展,有可能生成大量(>100,000)的亚断层图,每个亚断层图都包含一个大分子复合物。通常,由于原位复合物的结构和组成存在差异,或者因为颗粒是不同复合物的混合物,这些亚断层图代表的是一个异质样本。在这种情况下,必须对亚断层图进行分类。然而,对大量亚断层图进行分类是一项耗时的任务,而且往往是一个限制瓶颈。本文介绍了一个开源软件平台TomoMiner,用于大规模亚断层图分类、模板匹配、亚断层图平均和对齐。其可扩展且强大的并行处理功能能够高效地对数万至数十万的亚断层图进行分类。此外,TomoMiner提供了一个预配置的TomoMiner云计算服务,使没有足够计算资源的用户能够即时访问TomoMiner的高性能功能。