Supplementary data for manuscript: "Unveiling GruPol: Predicting electric and electrostatic properties of macromolecules via building block approach"

This dataset contains files for executing GruPol database as well testing files. Folders: 1) GruPol - running database 2) test1 - contains a PDB file for running GruPol (atom labels must follow CHARMM force field) 3) test2 - contains a PolaBer output file for running CrysPol. The given CIF file provides the necessary information concerning crystal symmetry for testing. 3) proteins_validation_coordinates - provides the coordinates of the molecules used to benchmark GruPol.