InteractiveROSETTA: a graphical user interface for the PyRosetta protein modeling suite

作     者：Schenkelberg, Christian D. Bystroff, Christopher 

作者机构：Rensselaer Polytech Inst Dept Biol Sci Troy NY 12180 USA Rensselaer Polytech Inst Dept Comp Sci Troy NY 12180 USA 

出 版 物：《BIOINFORMATICS》 (生物信息学)

年 卷 期：2015年第31卷第24期

页      面：4023-4025页

核心收录：

学科分类：0710[理学-生物学] 08[工学] 0714[理学-统计学（可授理学、经济学学位）] 0836[工学-生物工程] 0812[工学-计算机科学与技术（可授工学、理学学位）] 

基　　金：National Institute of Health [R01 GM099827] 

主　　题：Models, Molecular Protein Conformation Proteins/chemistry Software User-Computer Interface 

摘      要：Modern biotechnical research is becoming increasingly reliant on computational structural modeling programs to develop novel solutions to scientific questions. Rosetta is one such protein modeling suite that has already demonstrated wide applicability to a number of diverse research projects. Unfortunately, Rosetta is largely a command-line-driven software package which restricts its use among non-computational researchers. Some graphical interfaces for Rosetta exist, but typically are not as sophisticated as commercial software. Here, we present InteractiveROSETTA, a graphical interface for the PyRosetta framework that presents easy-to-use controls for several of the most widely used Rosetta protocols alongside a sophisticated selection system utilizing PyMOL as a visualizer. InteractiveROSETTA is also capable of interacting with remote Rosetta servers, facilitating sophisticated protocols that are not accessible in PyRosetta or which require greater computational resources.