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Find hydrated waters in atomic-resolution crystal structures

Project description

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Features

  • Finds protonated waters in atomic-resolution structures

Requirements

  • Tested on Python 3.9 and 3.10 on Linux and Mac

Installation

You can install Zeigen via pip from PyPI:

$ pip install zeigen

Usage

Please see the Command-line Reference for details.

Contributing

Contributions are very welcome. To learn more, see the Contributor Guide.

License

Distributed under the terms of the BSD 3-Clause license, Zeigen is free and open source software.

Issues

If you encounter any problems, please file an issue along with a detailed description.

Credits

Zeigen was written by Joel Berendzen.

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