SuperStar is a program for generating maps of interaction sites in proteins or around small molecules using experimental information about intermolecular interactions. The interaction maps that SuperStar generates are therefore fully knowledge-based.
    SuperStar retrieves its data from IsoStar, CCDC's interaction database. IsoStar contains information about non-bonded interactions from both the Cambridge Structural Database (CSD) and the Protein Data Bank (PDB).

SuperStar is available as an option to all CSD System subscribers. For a free evaluation of SuperStar, normally available for those interested in purchase, please e-mail us.
SuperStar features:
Fast generation of maps (less than 1 minute per binding site)
Use of either CSD or PDB data
Metal coordination data
Stand alone graphical user interface and seamless interface to SYBYL
Expert command-line interface
Built-in cavity detection that selects residues automatically
Knowledge-based approach: all results can be traced back to experimentally observed geometries of interaction
Application of parameterised Gaussian functions for speeding up calculations
Choice of 14 CSD probes and 6 PDB probes selected for diversity and data availability (including a water probe)
Visualisation through 3D maps, Connolly surfaces, scatterplots, and pharmacophore fitting points
Extensive validation on a test set of 305 protein-ligand complexes from the PDB and this is available for download.