GridDataFormats
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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.
============================ 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
- from the Python Package Index under the name
GridDataFormats_ - as a conda package from the conda-forge channel,
conda-forge/griddataformats_ - in source from the GitHub repository https://github.com/MDAnalysis/GridDataFormats
.. _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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.. |cov| image:: https://codecov.io/gh/MDAnalysis/GridDataFormats/branch/master/graph/badge.svg :alt: Coverage Status :target: https://codecov.io/gh/MDAnalysis/GridDataFormats
.. |docs| image:: https://img.shields.io/badge/docs-latest-brightgreen.svg :alt: Documentation :target: https://www.mdanalysis.org/GridDataFormats/
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.. |conda| image:: https://anaconda.org/conda-forge/griddataformats/badges/version.svg :alt: Anaconda :target: https://anaconda.org/conda-forge/griddataformats