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JGromacs: A Java Package for Analyzing Protein Simulations
2012
Journal of Chemical Information and Modeling
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 representation
doi:10.1021/ci200289s
pmid:22191855
pmcid:PMC3269218
fatcat:f5mce7mqkrasvibccgrvm3rnbq