| Pteros: fast and easy to use open-source C++ library for molecular analysis. | |
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MedLine Citation:
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PMID: 22539341 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. © 2012 Wiley Periodicals, Inc. |
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Authors:
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Semen O Yesylevskyy |
Publication Detail:
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Type: JOURNAL ARTICLE Date: 2012-4-27 |
Journal Detail:
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Title: Journal of computational chemistry Volume: - ISSN: 1096-987X ISO Abbreviation: - Publication Date: 2012 Apr |
Date Detail:
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Created Date: 2012-4-27 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9878362 Medline TA: J Comput Chem Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Copyright Information:
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Copyright © 2012 Wiley Periodicals, Inc. |
Affiliation:
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Institute of Physics, National Academy of Sciences of Ukraine, Prospect Nauki 46, Kyiv 03028, Ukraine. yesint3@yahoo.com. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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