CLI for calculating all atom-atom, residue-residue, and chain-chain interactions in PDB files.

Written for Python 2.7.x. To install dependencies with pip:

pip install -r requirements.txt

python determine_interactions.py -h

Outputting the entity type (e.g. protein, DNA, RNA, etc) is optional, and depends on data files generated from https://github.com/harryjubb/pdb_residue_types.