A python package to characterise molecular interactions at atomic level in PDB structures and MD simulations
conda install -c intbio -c conda-forge -c bioconda pymolint
For Jupyter use see example.ipynb - THIS IS RECOMMENDED
---- In development
- Testing can be done as
git clone https://github.com/intbio/pymolint.git
docker run --workdir "/wd" -v "$PWD/pymolint:/wd" intbio/pymolint_test pytest
See test_results folder for results.