Hermes is a 3D visualiser with particular emphasis on functionality for the analysis of protein-ligand interactions. Hermes acts as a visualiser and central hub for several CCDC products:

• SuperStar
• Relibase+
• GOLD Suite

General Hermes features include:

• The ability to view protein and ligand structures from external files
• Easy navigation of the protein structure and control of what is displayed
• A selection of visualisation options including a choice of display styles, colours, labelling schemes, and the ability to hide and then re-display atoms, residues, ligands, water molecules, etc
• Functionality to generate auxiliary objects such as centroids and ribbons
• The ability to restrict the contents of the rendered image based on the Z coordinate of individual objects (i.e. apply Z-clipping)
• The ability to measure and display distances, angles and torsion angles
• The option to find and display hydrogen bonds and non-bonded clashes, and to customise how they are defined geometrically
• Various display output options (e.g. png, jpg, bmp)
• The ability to edit ligands either manually or automatically to Cambridge Structural Database (CSD) conventions
• Stereoviewing functionality
• The abilty to overlay ligands
• Funtionality for superimposing proteins
• The ability to define and calculate descriptors
• Links to a pre-computed library of ligand geometries (Mogul)*
• Links to a precomputed library of non-bonded interactions (IsoStar)*
  * CSD System subscribers only

Features specific to SuperStar licence holders include:

• Protonation of raw PDB files
• Easy navigation and modification of loaded SuperStar maps

Features specific to Relibase+ licence holders include:

• The ability to visualise individual water molecules and water clusters identified by the water information module
• The ability to display protein cavity pseudocentres and set up cavity similarity searches
• The ability to view superimposed binding sites and manage which are displayed

Features specific to the GOLD Suite licence holders include:

• Interactive GOLD docking set-up
• A plug-in to GoldMine for post-processing GOLD docking results
• The ability to view docking poses and associated data from GoldMine selections
• The ability to calculate descriptors and add them to an existing GoldMine database

For a free evaluation of the GOLD suite, normally available for those interested in purchase, please contact CCDC.