3. The Way of ZAP

There follows a dozen or so examples of using ZAP. The list is always growing because the toolkit philosophy really does work. Most of the examples use OEInterface to provide consistent command-line argument handling.

Subsections

3.1 Partial Charges and Atomic Radii
3.2 Get a Grid
3.3 Atom Potentials
3.4 Solvation Energies: PBSA
3.5 Binding Energies
3.6 Focussing
3.7 Gradients/Forces
3.8 Electrostatic Similarity

				ZAP Electrostatics at OpenEye C++ Programming Manual

				ZAP Electrostatics at OpenEye C++ Programming Manual