For example, the following command calculates an EP grid with Gasteiger charges, centered at (0,0,0), with size of each side 5 Å, a resolution of 0.5 Å and a cutoff of 3 Å for molecules in the file input.sdf and save the result in the file outfile.csv: guidemol.py -i input.sdf -g pot -p Gasteiger -cx 0 -cy 0 -cz 0 -r 0.5 -w 3 -sx 5 -sy 5 -sz 5 -o outfile.csv