Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python.
DOI: 10.1002/JCC.23943
关键词: Trajectory analysis 、 Computer science 、 Programming language 、 Asynchronous communication 、 Python (programming language) 、 Molecular analysis 、 Plug-in 、 Scripting language
摘要: Pteros is the high-performance open-source library for molecular modeling and analysis of dynamics trajectories. Starting from version 2.0 available C++ Python programming languages with very similar interfaces. This makes it suitable writing complex reusable programs in simple interactive scripts alike. New improves facilities asynchronous trajectory reading parallel execution tasks by introducing plugins which could be written either or completely uniform way. The high level abstraction provided greatly simplifies prototyping implementation algorithms. free under Artistic License http://sourceforge.net/projects/pteros/. © 2015 Wiley Periodicals, Inc.
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