Using Situs for the integration of multi-resolution structures.
Using Situs for the integration of multi-resolution structures.
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DOI：
10.1007/s12551-009-0026-3
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发表时间：
2010-02
影响因子：
--
通讯作者：
Wriggers, Willy
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文献类型：
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作者：
Wriggers, Willy
Situs 是一个广泛使用的模块化软件包，用于跨空间分辨率尺度集成生物物理数据。它是在过去十年中开发出来的，重点是弥合原子结构、粗粒度模型和低分辨率生物物理来源（例如电子显微镜、断层扫描或小角度散射）的体积数据之间的分辨率差距。可以使用各种柔性和刚体对接策略来创建和完善结构模型。该软件由多个独立程序组成，用于 3D 数据集的格式转换、分析、可视化、操作和组装。这些程序已被移植到串行和共享内存并行架构的众多平台上，并且可以以各种方式组合用于特定的建模应用程序。模块化设计有利于单个程序的更新和新颖的应用程序工作流程的开发。本评论概述了目前存在的 Situs 软件包，重点介绍了 2.5 版支持的功能和工作流程。本文的在线版本 (doi:10.1007/s12551-009-0026-3) 包含补充材料，可供授权用户使用。
Situs is a modular and widely used software package for the integration of biophysical data across the spatial resolution scales. It has been developed over the last decade with a focus on bridging the resolution gap between atomic structures, coarse-grained models, and volumetric data from low-resolution biophysical origins, such as electron microscopy, tomography, or small-angle scattering. Structural models can be created and refined with various flexible and rigid body docking strategies. The software consists of multiple, stand-alone programs for the format conversion, analysis, visualization, manipulation, and assembly of 3D data sets. The programs have been ported to numerous platforms in both serial and shared memory parallel architectures and can be combined in various ways for specific modeling applications. The modular design facilitates the updating of individual programs and the development of novel application workflows. This review provides an overview of the Situs package as it exists today with an emphasis on functionality and workflows supported by version 2.5. The online version of this article (doi:10.1007/s12551-009-0026-3) contains supplementary material, which is available to authorized users.