The PyRosetta Toolkit: A Graphical User Interface for the Rosetta Software Suite

被引：21

作者：

Adolf-Bryfogle, Jared ^{[1
,2
]}

Dunbrack, Roland L., Jr. ^{[1
]}

机构：

[1] Fox Chase Canc Ctr, Inst Canc Res, Philadelphia, PA 19111 USA

[2] Drexel Univ, Coll Med, Program Mol & Cell Biol & Genet, Philadelphia, PA 19104 USA

来源：

PLOS ONE | 2013年 / 8卷 / 07期

基金：

美国国家卫生研究院;

关键词：

CRYSTALLOGRAPHIC PHASE PROBLEM; PROTEIN-PROTEIN DOCKING; STRUCTURE PREDICTION; ROTAMER PREFERENCES; DESIGN; SEQUENCES; ACCURACY; FOLDIT; SERVER; LOOP;

D O I：

10.1371/journal.pone.0066856

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The Rosetta Molecular Modeling suite is a command-line-only collection of applications that enable high-resolution modeling and design of proteins and other molecules. Although extremely useful, Rosetta can be difficult to learn for scientists with little computational or programming experience. To that end, we have created a Graphical User Interface (GUI) for Rosetta, called the PyRosetta Toolkit, for creating and running protocols in Rosetta for common molecular modeling and protein design tasks and for analyzing the results of Rosetta calculations. The program is highly extensible so that developers can add new protocols and analysis tools to the PyRosetta Toolkit GUI.

引用

页数：8

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