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Hinsen K.

MOSAIC : A Data Model and File Formats for Molecular Simulations

Journal of Chemical Information and Modeling 54 (1) 131-137 - doi : 10.1021/ci400599y

par Frapart - publié le , mis à jour le

Abstract :

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.