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MMSchema

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A vocabulary specification for Molecular Mechanics. Supported schemas:

Supported file formats:

See the documentation for more info.

Sample files

See the following files for CO2 molecule representation:

  • JSON: representation in JavaScript Object Notation format
  • YAML: representation in YAML Ain't Markup Language format
  • HDF5: representation in a hierarchichal (filesystem-like) data format
  • HDF5-JSON: representation in an HDF5-equivalent JSON file based on the HDF5-JSON specification