Emsley P, Lohkamp B, Scott W G, Cowtan K
Department of Biochemistry, University of Oxford, South Parks Road, Oxford OX1 3QU, England.
Acta Crystallogr D Biol Crystallogr. 2010 Apr;66(Pt 4):486-501. doi: 10.1107/S0907444910007493. Epub 2010 Mar 24.
Coot is a molecular-graphics application for model building and validation of biological macromolecules. The program displays electron-density maps and atomic models and allows model manipulations such as idealization, real-space refinement, manual rotation/translation, rigid-body fitting, ligand search, solvation, mutations, rotamers and Ramachandran idealization. Furthermore, tools are provided for model validation as well as interfaces to external programs for refinement, validation and graphics. The software is designed to be easy to learn for novice users, which is achieved by ensuring that tools for common tasks are 'discoverable' through familiar user-interface elements (menus and toolbars) or by intuitive behaviour (mouse controls). Recent developments have focused on providing tools for expert users, with customisable key bindings, extensions and an extensive scripting interface. The software is under rapid development, but has already achieved very widespread use within the crystallographic community. The current state of the software is presented, with a description of the facilities available and of some of the underlying methods employed.
Coot是一款用于生物大分子模型构建和验证的分子图形应用程序。该程序可显示电子密度图和原子模型,并允许进行模型操作,如理想化、实空间精修、手动旋转/平移、刚体拟合、配体搜索、溶剂化、突变、旋转异构体和拉马钱德兰理想化。此外,还提供了用于模型验证的工具以及与外部程序的接口,以进行精修、验证和图形处理。该软件旨在让新手用户易于学习,这是通过确保常见任务的工具可通过熟悉的用户界面元素(菜单和工具栏)或直观行为(鼠标控制)“被发现”来实现的。最近的开发重点是为专业用户提供工具,包括可定制的键绑定、扩展和广泛的脚本接口。该软件正在快速开发,但已在晶体学界得到非常广泛的应用。本文介绍了该软件的当前状态,描述了可用的功能以及所采用的一些基础方法。