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.