ZAP: Electrostatics at OpenEye
 

The Way of ZAP
(Examples you can use around the home.)

There follows a dozen or so examples of using Zap.  The list is always growing because the toolkit philosophy really does work. If you come up with a neat application you would like to share, let me know.

Each example comes with a brief description, a link to the main.c that produces the executable, and a link to the binary that would be so produced. The first link is to a configure script that produces a Makefile to ease compilation.  Each main.c is heavily documented. In addition, executing the derived binary without command line options will cause all options to be printed.

Sorry there are so few pretty pictures at this time.
 

EXAMPLES:

Get a Grid

Focussing

Atom Potentials

Solvation Energies: PBSA

Binding Energies

Gradients/Forces

Electrostatic (and Shape) Descriptors

pKa


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