Features and development of Coot.
Features and development of Coot.
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DOI：
10.1107/s0907444910007493
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发表时间：
2010-04
期刊：
影响因子：
--
通讯作者：
Cowtan K
中科院分区：
文献类型：
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作者：
Emsley P;Lohkamp B;Scott WG;Cowtan K
COOT是一个分子图形程序，旨在帮助建立蛋白质和其他大分子模型。介绍了目前的发展状况和可用的功能。COOT是一个用于生物大分子建模和验证的分子图形学应用程序。该程序显示电子密度图和原子模型，并允许理想化、真实空间精化、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Ramachandran理想化等模型操作。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，用于改进、验证和绘制图形。该软件设计为便于新手用户学习，这是通过确保常见任务的工具可以通过熟悉的用户界面元素(菜单和工具栏)或通过直观的行为(鼠标控制)来实现的。最近的发展侧重于为专家用户提供工具，具有可定制的键绑定、扩展和广泛的脚本界面。该软件正在快速开发中，但已经在结晶学领域获得了非常广泛的使用。介绍了软件的当前状态，并对可用的设施和采用的一些基本方法进行了说明。
Coot is a molecular-graphics program designed to assist in the building of protein and other macromolecular models. The current state of development and available features are presented. 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.