Some tools for sorting, comparison and get data from molden files
The toolset should help you during your chemistry research with sorting, filtering and searching the data in molden files. Furthermore it should also help to visualize the data in your paper.
- Free software: MIT license
TODO
$ python3 -m venv .env $ source .env/bin/activate $ pip install --upgrade pip setuptools wheel $ pip install -r devel-requirements.txt $ pip install -e .
@Misc{Loehel2022,
author = {Juergen Loehel and Alba Vargas-Caamal},
title = {tidymol 1.0},
year = {2022},
url = {https://github.com/jloehel/tidymol},
}