作者
Andrew Leaver-Fay, Michael Tyka, Steven M Lewis, Oliver F Lange, James Thompson, Ron Jacak, Kristian W Kaufman, P Douglas Renfrew, Colin A Smith, Will Sheffler, Ian W Davis, Seth Cooper, Adrien Treuille, Daniel J Mandell, Florian Richter, Yih-En Andrew Ban, Sarel J Fleishman, Jacob E Corn, David E Kim, Sergey Lyskov, Monica Berrondo, Stuart Mentzer, Zoran Popović, James J Havranek, John Karanicolas, Rhiju Das, Jens Meiler, Tanja Kortemme, Jeffrey J Gray, Brian Kuhlman, David Baker, Philip Bradley
发表日期
2011/1/1
图书
Methods in enzymology
卷号
487
页码范围
545-574
出版商
Academic Press
简介
We have recently completed a full rearchitecturing 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 Counting currently unpublished protocols at the time of this writing, the source includes 1,285,000 lines.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 chapter 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.
引用总数
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A Leaver-Fay, M Tyka, SM Lewis, OF Lange… - Methods in enzymology, 2011