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Fragment molecules for quantum mechanics torsion scans

Home Page: https://fragmenter.readthedocs.io/en/latest/

License: MIT License

Python 99.43% HTML 0.57%

fragmenter's Introduction

Fragmenter

Test Status Documentation Status Language grade: Python codecov License: MIT DOI

Fragment molecules for quantum mechanics torsion scans.

License

This software is licences under the MIT Licence, a permissive open source license.

Warning

This code is currently experimental and under active development. If you are using this code, be aware that it is not guaranteed to provide the correct results, the documentation and testing is incomplete and the API can change without notice.

Documentation

See documentation for more information.

Dependencies

Dependencies are in meta.yaml

Copyright

Copyright (c) 2018, Chaya D. Stern

Acknowledgements

Project based on the Computational Chemistry Python Cookiecutter

fragmenter's People

Contributors

chayast avatar dependabot[bot] avatar dgasmith avatar jchodera avatar mattwthompson avatar simonboothroyd avatar

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