Materia Structure Module

Streamlined interface for managing atomistic structure data.

Streamlined interface for managing atomistic structure data through Materia. Defines unified and intuitive functionality for manipulating atomistic structure data leveraging the power of Openbabel.

Getting Started

Installing

From pip:

pip install materia-structure

From conda:

conda install -c conda-forge -c kijana materia-structure

Documentation

See documentation here.

Examples

See example scripts in Examples.

Authors

Ki-Jana Carter

License

This project is licensed under the MIT License - see the LICENSE file for details.

Contributing

See CONTRIBUTING.