SZMAP 1.0.0

June 2011

First product release of SZMAP application, utilities and VIDA extensions.

Features

  • 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.

Table Of Contents

Previous topic

SZMAP 1.1.0

Next topic

Citation