MDAnalysis / GridDataFormats

GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
https://mdanalysis.org/GridDataFormats
GNU Lesser General Public License v3.0
29 stars 18 forks source link
python

============================ 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

.. GridDataFormats: https://pypi.python.org/pypi/GridDataFormats .. conda-forge/griddataformats: https://anaconda.org/conda-forge/griddataformats .. COPYING: https://raw.githubusercontent.com/MDAnalysis/GridDataFormats/master/COPYING .. COPYING.LESSER: https://raw.githubusercontent.com/MDAnalysis/GridDataFormats/master/COPYING.LESSER .. _Grid: https://www.mdanalysis.org/GridDataFormats/gridData/core.html#gridData.core.Grid

Installation

Installing GridDataFormats with pip


Install with `pip`_::

  pip install gridDataFormats

.. _pip: https://pip.pypa.io/

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.)

.. GridDataFormats docs: https://www.mdanalysis.org/GridDataFormats .. griddataformats.readthedocs.org: https://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_.

.. _issue tracker: https://github.com/MDAnalysis/GridDataFormats/issues .. _pull request: https://github.com/MDAnalysis/GridDataFormats/pulls

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