piermorgante/molecool

A very cool molecular visualizer (MolSSI Python workshop)

molecool

A Python package for analyzing and visualizing pdb and xyz files. For MolSSI May webinar series.

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

'pip install -e .'

in the repository directory.

This package requires the following:

• NumPy
• Matplotlib

Features should be developed on branches. To create and switch to a branch, use the command:

git checkout -b new_branch_name

To switch to an existing branch, use:

git checkout branch_name

To submit your feature to be incorporated into the master branch, you should submit a "Pull requesT". The repository maintainers will review your pull request before accepting your changes.

Copyright

Copyright (c) 2020, Pier Morgante

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.2.

molecool's Issues

I am unable to visualize my favorite molecule.

Hello,

I have been trying to plot an Arsenic atom and your code complains.