Fragmenter
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