First product release of SZMAP application, utilities and VIDA extensions.
Calculates solvent energies on a grid and at user specified coordinates.
Includes VIDA extensions to facilitate visualization of szmap results.
Includes a Grapheme-based report writer that projects SZMAP values onto 2D images.
Includes a tool to integrate grids to quantify SZMAP results.
Includes a tool to add partial charges and radii to protein and ligand atoms preparation for running szmap.
Includes tools to facilitate using reduce to add and optimize protons required for running szmap.
Includes a tool to convert output grids to different formats and perform various mathematical operations on grids.