/Molara

Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user interface for importing structures from output files of popular computational chemistry software as well as for creating custom structures.

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

CI Status code coverage pre-commit.ci status

Molara

git clone <this repo>
cd Molara

You first need to create a virtual environment and activate it in order to install molara as follows:

python -m venv venv
source venv/bin/activate
pip install cython numpy setuptools
python -m cython_build build_ext --inplace
pip install -e .
molara