A component-based software environment for visualizing large macromolecular assemblies
A component-based software environment for visualizing large macromolecular assemblies
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DOI：
10.1016/j.str.2005.01.010
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发表时间：
2005-03-01
期刊：
影响因子：
5.7
通讯作者：
Sanner, MF
中科院分区：
文献类型：
--
作者：
Sanner, MF
大型生物组装体的交互式可视化带来了许多具有挑战性的问题，包括多分辨率表示的开发以及用于导航和分析这些复杂系统的新交互方法。另一个挑战是开发灵活的软件环境，这将促进来自多种科学学科的计算模型和技术的集成与互操作。在本文中，我们提出了一种基于组件的软件开发策略，该策略以高级的、面向对象的解释型编程语言Python为核心。我们介绍了几个软件组件，讨论了它们的集成，并描述了它们与大分子组装体可视化相关的一些特性。给出了几个例子来说明这些软件组件的互操作以及来自各种实验来源的结构数据的集成。这些例子说明了将可视化编程与基于组件的软件开发相结合如何促进新型可视化工具的快速原型制作。
The interactive visualization of large biological assemblies poses a number of challenging problems, including the development of multiresolution representations and new interaction methods for navigating and analyzing these complex systems. An additional challenge is the development of flexible software environments that will facilitate the integration and interoperation of computational models and techniques from a wide variety of scientific disciplines. In this paper, we present a component-based software development strategy centered on the high-level, object-oriented, interpretive programming language: Python. We present several software components, discuss their integration, and describe some of their features that are relevant to the visualization of large molecular assemblies. Several examples are given to illustrate the interoperation of these software components and the integration of structural data from a variety of experimental sources. These examples illustrate how combining visual programming with component-based software development facilitates the rapid prototyping of novel visualization tools.