Liang Yuyao, Ke Eugene Y, Zhou Z Hong
Department of Pathology and Laboratory Medicine, University of Texas-Houston Medical School, 77030, USA.
J Struct Biol. 2002 Mar;137(3):292-304. doi: 10.1016/s1047-8477(02)00014-x.
Recent advances in electron cryomicroscopy instrumentation and single particle reconstruction have created opportunities for high-throughput and high-resolution three-dimensional (3D) structure determination of macromolecular complexes. However, it has become impractical and inefficient to rely on conventional text file data management and command-line programs to organize and process the increasing numbers of image data required in high-resolution studies. Here, we present a distributed relational database for managing complex datasets and its integration into our high-resolution software package IMIRS (Image Management and Icosahedral Reconstruction System). IMIRS consists of a complete set of modular programs for icosahedral reconstruction organized under a graphical user interface and provides options for user-friendly, step-by-step data processing as well as automatic reconstruction. We show that the integration of data management with processing in IMIRS automates the tedious tasks of data management, enables data coherence, and facilitates information sharing in a distributed computer and user environment without significantly increasing the time of program execution. We demonstrate the applicability of IMIRS in icosahedral reconstruction toward high resolution by using it to obtain an 8-A 3D structure of an intermediate-sized dsRNA virus.
电子冷冻显微镜仪器和单颗粒重构技术的最新进展为高通量、高分辨率测定大分子复合物的三维（3D）结构创造了机会。然而，依靠传统的文本文件数据管理和命令行程序来组织和处理高分辨率研究中所需的越来越多的图像数据已变得不切实际且效率低下。在此，我们展示了一个用于管理复杂数据集的分布式关系数据库及其与我们的高分辨率软件包IMIRS（图像管理与二十面体重构系统）的集成。IMIRS由一组完整的用于二十面体重构的模块化程序组成，这些程序在图形用户界面下组织，并提供用户友好的、逐步的数据处理选项以及自动重构功能。我们表明，在IMIRS中将数据管理与处理集成可自动执行繁琐的数据管理任务，实现数据一致性，并在分布式计算机和用户环境中促进信息共享，而不会显著增加程序执行时间。我们通过使用IMIRS获得中等大小双链RNA病毒的8埃3D结构，证明了IMIRS在二十面体重构以实现高分辨率方面的适用性。
