This Python package implements methods for Bayesian coarse-graining of biomolecular structures.
- Local installation
python setup.py install --prefix=${HOME}
- Global installation
sudo python setup.py install
Install with
pip install numpy scipy csb
Optional (used in only test and application scripts)
- matplotlib: download
Install with
pip install matplotlib
Examples for running Bayesian coarse-graining on PDB structure can be found in the tests/ and scripts/ folder.
Execute the script cg_pdb.py.