title: Pteros 2.0: Evolution of the fast parallel molecular analysis library for C++ and python.
abstract: Pteros is the high-performance open-source library for molecular modeling and analysis of molecular dynamics trajectories. Starting from version 2.0 Pteros is available for C++ and Python programming languages with very similar interfaces. This makes it suitable for writing complex reusable programs in C++ and simple interactive scripts in Python alike. New version improves the facilities for asynchronous trajectory reading and parallel execution of analysis tasks by introducing analysis plugins which could be written in either C++ or Python in completely uniform way. The high level of abstraction provided by analysis plugins greatly simplifies prototyping and implementation of complex analysis algorithms. Pteros is available for free under Artistic License from http://sourceforge.net/projects/pteros/.
authors.affiliation: Department of Physics of Biological Systems, Institute of Physics, National Academy of Sciences of Ukraine, Prospect Nauki, 46, Kyiv-03039, Ukraine.
authors.forename: Semen O
authors.initials: SO
authors.lastname: Yesylevskyy
mesh_terms: D000465:Algorithms; D003205:Computing Methodologies; D020407:Internet; D056004:Molecular Dynamics Simulation; D011381:Programming Languages; D012984:Software
keywords: C++; library; molecular dynamics; molecular modeling; python; trajectory analysis