alexvakimov / molecool

Example project for the MolSSI at Buffalo, 2020

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molecool

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A Python package for analyzing and visualizing xyz files. Fol MolSSI workshop Python Package development

Copyright

Copyright (c) 2020, Alexey Akimov

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.1.

This repository is currently under development. To do a developmental install, download and type

pip install -e .

This package needs:

  • numpy
  • matplotlib

About

Example project for the MolSSI at Buffalo, 2020

License:BSD 3-Clause "New" or "Revised" License


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Language:Python 98.7%Language:Shell 1.3%