ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules.
ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules.
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Rosetta3：一个面向对象的软件套件，用于大分子的仿真和设计。
DOI：
10.1016/b978-0-12-381270-4.00019-6
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发表时间：
2011
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我们最近完成了对Rosetta分子建模程序的全面重新架构，概括和扩展了其现有功能。新的体系结构通过提供易于使用的接口到用于分子建模的强大工具来实现新协议的快速原型化。这种重新架构的源代码已作为Rosetta3发布，并可免费供学术使用。在发布时，它包含470，000行代码。在撰写本文时，计算当前未发布的协议，该源代码包括1，285，000行。它的快速增长证明了它的易用性。本文档描述了我们的新架构的需求，证明了设计决策的合理性，概述了中心类，并强调了新软件可以执行的一些常见任务。
We have recently completed a full re-architecturing of the Rosetta molecular modeling program, generalizing and expanding its existing functionality. The new architecture enables the rapid prototyping of novel protocols by providing easy to use interfaces to powerful tools for molecular modeling. The source code of this rearchitecturing has been released as Rosetta3 and is freely available for academic use. At the time of its release, it contained 470,000 lines of code. Counting currently unpublished protocols at the time of this writing, the source includes 1,285,000 lines. Its rapid growth is a testament to its ease of use. This document describes the requirements for our new architecture, justifies the design decisions, sketches out central classes, and highlights a few of the common tasks that the new software can perform.