This page is the index to the archive of scripts and documentation
for obtaining pictures of the Residual potential and its components using
GRASP. If you have found these scripts useful (or the converse) and have
made additions or improvements on them, please email us at email@example.com so we may incorporate
your modifications into a new version available to the public. An
appropriate reference for publication is: Optimizing Electrostatic Affinity in Ligand-Receptor Binding: Theory, Computation, and Ligand Properties.
E. Kangas and B. Tidor.
J. Chem. Phys.
109: 7522-7545 (1998).
|residual_grasp1_0.tar: Created 7/2/98: This collection of macros uses GRASP's internal Poisson-Boltzmann solver to compute the electrostatic potentials. Macros are provided for computing and displaying the Residual potential and its components, and saving the resulting images to files. Documentation.|