MolSystem¶
Molsystem provides a general class for handling molecular and periodic systems
Free software: GNU Lesser General Public License v3+
Documentation: https://molsystem.readthedocs.io.
Features¶
Complete the initial version!
Remove the coordinates from the Atoms class and allow for multiple sets of coordinates – conformers, trajectories, etc.
Provide a concept of the ‘current’ system
Credits¶
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.