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JGromacs: a Java package for analyzing protein simulations.

Abstract:

UNLABELLED: In this paper, we introduce JGromacs, a Java API (Application Programming Interface) that facilitates the development of cross-platform data analysis applications for Molecular Dynamics (MD) simulations. The API supports parsing and writing file formats applied by GROMACS (GROningen MAchine for Chemical Simulations), one of the most widely used MD simulation packages. JGromacs builds on the strengths of object-oriented programming in Java by providing a multilevel object-oriented ...

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Publication status:
Published

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Publisher copy:
10.1021/ci200289s

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Institution:
University of Oxford
Department:
Oxford, MSD, Biochemistry
Journal:
Journal of chemical information and modeling
Volume:
52
Issue:
1
Pages:
255-259
Publication date:
2012-01-05
DOI:
EISSN:
1549-960X
ISSN:
1549-9596
URN:
uuid:9ae2775a-1aba-4f90-8eab-153eabf63245
Source identifiers:
222316
Local pid:
pubs:222316

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