Python 3.9 (for math.dist)
Fill in the "interpolar_checker.conf" file with the path to your IChem executable.

Basic usage :
python3.9 interpolar_checker.py --protein protein.mol2 --ligand poses.mol2 --output poses_unsatisfied.tsv --conf interpolar_checker.conf

Optional :
--id : Writes the list of unsatisfied polar atom IDs in the output file
--intra : Computes and accounts for intramolecular hydrogen bonds when considering atoms as unsatisfied
python3.9 interpolar_checker.py --protein protein.mol2 --ligand poses.mol2 --output poses_unsatisfied.tsv --conf interpolar_checker.conf --id --intra

There is another script, which is a mol2 parser. It needs to be in the same folder as interpolar_checker.py.
