Pettersen Eric F, Goddard Thomas D, Huang Conrad C, Couch Gregory S, Greenblatt Daniel M, Meng Elaine C, Ferrin Thomas E
Computer Graphics Laboratory, Department of Pharmaceutical Chemistry, University of California, 600 16th Street, San Francisco, California 94143-2240, USA.
J Comput Chem. 2004 Oct;25(13):1605-12. doi: 10.1002/jcc.20084.
The design, implementation, and capabilities of an extensible visualization system, UCSF Chimera, are discussed. Chimera is segmented into a core that provides basic services and visualization, and extensions that provide most higher level functionality. This architecture ensures that the extension mechanism satisfies the demands of outside developers who wish to incorporate new features. Two unusual extensions are presented: Multiscale, which adds the ability to visualize large-scale molecular assemblies such as viral coats, and Collaboratory, which allows researchers to share a Chimera session interactively despite being at separate locales. Other extensions include Multalign Viewer, for showing multiple sequence alignments and associated structures; ViewDock, for screening docked ligand orientations; Movie, for replaying molecular dynamics trajectories; and Volume Viewer, for display and analysis of volumetric data. A discussion of the usage of Chimera in real-world situations is given, along with anticipated future directions. Chimera includes full user documentation, is free to academic and nonprofit users, and is available for Microsoft Windows, Linux, Apple Mac OS X, SGI IRIX, and HP Tru64 Unix from http://www.cgl.ucsf.edu/chimera/.
本文讨论了一种可扩展可视化系统UCSF Chimera的设计、实现及功能。Chimera分为提供基本服务和可视化的核心部分,以及提供大多数高级功能的扩展部分。这种架构确保扩展机制能够满足希望融入新功能的外部开发者的需求。文中介绍了两个不同寻常的扩展:Multiscale,它增加了可视化大规模分子组件(如病毒衣壳)的能力;Collaboratory,它使研究人员即使身处不同地点也能交互式地共享Chimera会话。其他扩展包括用于显示多序列比对和相关结构的Multalign Viewer;用于筛选对接配体方向的ViewDock;用于重放分子动力学轨迹的Movie;以及用于显示和分析体数据的Volume Viewer。文中还讨论了Chimera在实际情况中的使用方法以及预期的未来发展方向。Chimera包含完整的用户文档,对学术和非营利用户免费,可从http://www.cgl.ucsf.edu/chimera/ 下载适用于Microsoft Windows、Linux、Apple Mac OS X、SGI IRIX和HP Tru64 Unix的版本。