Becksteinlab / zarrtraj

zarrtraj MDAKit for @MDAnalysis

zarrtraj

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Zarrtraj is an MDAnalysis MDAKit that provides the ability to read and write H5MD-formatted trajectory data in MDAnalysis using Zarr. Zarrtraj can read trajectories locally and from AWS S3, Google Cloud Buckets, and Azure Blob Storage & DataLakes. It can read both H5MD-formatted files stored in hdf5 (.h5md files) and H5MD-formatted files stored in Zarr (.zarrmd files).

Zarrtraj is installable via both pip and conda forge:

pip install zarrtraj

conda install -c conda-forge zarrtraj

For more information on installation and usage, see the zarrtraj documentation

Zarrtraj is bound by a Code of Conduct.

Copyright

The Zarrtraj source code is hosted at https://github.com/Becksteinlab/zarrtraj and is available under the GNU General Public License, version 3 (see the file LICENSE).

Copyright (c) 2024, Lawson Woods

Acknowledgements

Project based on the MDAnalysis Cookiecutter version 0.1. Please cite MDAnalysis when using Zarrtraj in published work.