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GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

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README for GridDataFormats

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The GridDataFormats package provides classes to unify reading and writing n-dimensional datasets. One can read grid data from files, make them available as a Grid object, and write out the data again.

Availability

The package is licensed under the LGPL, v3 (see files COPYING and COPYING.LESSER) and is available

Installation

Installing GridDataFormats with pip

Install with pip:

pip install gridDataFormats

Installing GridDataFormats with conda

Installing GridDataFormats from the conda-forge channel can be achieved by adding "conda-forge" to your channels with:

conda config --add channels conda-forge

Once the conda-forge channel has been enabled, GridDataFormats can be installed with:

conda install griddataformats

Documentation

For the latest docs see the GridDataFormats docs. (Multiple versions of the docs are also available at griddataformats.readthedocs.org.)

Contributing

Please use the issue tracker for bugs and questions.

GridDataFormats is open source and contributions are welcome. Please fork the repository and submit a pull request.

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GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

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