UCSF chimera - A visualization system for exploratory research and analysis

UCSF chimera - A visualization system for exploratory research and analysis
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DOI:
10.1002/jcc.20084
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发表时间:
2004-10-01
影响因子:
3
通讯作者:
Ferrin, TE
Ferrin, TE
中科院分区:
化学3区
文献类型:
--
作者:
Pettersen, EF;Goddard, TD;Ferrin, TE

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讨论了一个可扩展的可视化系统UCSF Chimera的设计、实现和功能。Chimera被划分为提供基本服务和可视化的核心,以及提供最高级别功能的扩展。该体系结构确保扩展机制满足希望合并新功能的外部开发人员的需求。提出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的能力,如病毒外壳,以及ColLab,它允许研究人员在不同的地点交互地共享嵌合体会话。其他扩展包括用于显示多个序列比对和相关结构的多序列查看器;用于筛选对接配体取向的ViewDock;用于重放分子动力学轨迹的电影;以及用于显示和分析体积数据的体积查看器。讨论了嵌合体在现实世界中的使用情况,并展望了未来的发展方向。Chimera包括完整的用户文档,对学术和非营利用户免费,并可用于http://www.cgl.ucsf.edu/chimera/.提供的Microsoft Windows、Linux、Apple Mac OS X、SGI IRIX和HP Tru64 Unix(C)2004年威利期刊公司。
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/. (C) 2004 Wiley Periodicals, Inc.