#openbabel, tqdm, xtb(linux only) required
conda create -n mason
conda activate mason
conda install -c conda-forge openbabel
conda install -c conda-forge xtb
conda install tqdm

# To generate your own structures by modifing everything in config.ini.
# Or use Mason-GUI to help generate config.ini.
# Excute "python main.py" and your new generated sturctures can be found at output/xtbopt/.
# It is always recommended to use xtb to get better optimized structures when the code asked if you would like to. 
# The option that not using xtb is designed for windows and mac users and it is also suggested to run an additional round with xtb on linux later on.