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alexvakimov/molecool

molecool

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

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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

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Example project for the MolSSI at Buffalo, 2020

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