MOSAIC: A Data Model and File Formats for Molecular Simulations - Archive ouverte HAL
Article Dans Une Revue Journal of Chemical Information and Modeling Année : 2014

MOSAIC: A Data Model and File Formats for Molecular Simulations

Résumé

The MOlecular SimulAtion Interchange Conventions (MOSAIC) consist of a data model for molecular simulations and of concrete implementations of this data model in the form of file formats. MOSAIC is designed as a modular set of specifications, of which the initial version covers molecular structure and configurations. A reference implementation in the Python language facilitates the development of simulation software based on MOSAIC.

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Chimie
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Dates et versions

hal-01179151 , version 1 (21-07-2015)

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Konrad Hinsen. MOSAIC: A Data Model and File Formats for Molecular Simulations. Journal of Chemical Information and Modeling, 2014, 54 (1), pp.131-137. ⟨10.1021/ci400599y⟩. ⟨hal-01179151⟩
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