Scientific Computing Department, Science and Technology Facilities Council, Research Complex at Harwell, Didcot OX11 0FA, England.
Acta Crystallogr D Struct Biol. 2017 Jun 1;73(Pt 6):469-477. doi: 10.1107/S2059798317007859. Epub 2017 May 31.
As part of its remit to provide computational support to the cryo-EM community, the Collaborative Computational Project for Electron cryo-Microscopy (CCP-EM) has produced a software framework which enables easy access to a range of programs and utilities. The resulting software suite incorporates contributions from different collaborators by encapsulating them in Python task wrappers, which are then made accessible via a user-friendly graphical user interface as well as a command-line interface suitable for scripting. The framework includes tools for project and data management. An overview of the design of the framework is given, together with a survey of the functionality at different levels. The current CCP-EM suite has particular strength in the building and refinement of atomic models into cryo-EM reconstructions, which is described in detail.
作为为冷冻电镜社区提供计算支持任务的一部分，电子冷冻显微镜合作计算项目（CCP-EM）已经开发了一个软件框架，该框架可以方便地访问各种程序和实用程序。该软件套件的最终版本包含了不同合作者的贡献，通过将它们封装在 Python 任务包装器中，然后通过用户友好的图形用户界面以及适合脚本编写的命令行界面来访问这些贡献。该框架包括项目和数据管理工具。本文概述了该框架的设计，并调查了不同层次的功能。目前的 CCP-EM 套件在将原子模型构建和精修到冷冻电镜重构中具有特别的优势，本文对此进行了详细描述。
