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 MIT License (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.