Dock is an automatic procedure for docking a molecule into a receptor site.
The receptor site is characterized by centers, which may come from sphgen or any other source. A least-squares fitting procedure is used. Once an orientation has been found, it is evaluated by any of several scoring functions. Dock may be used to explore the binding modes of an individual molecule, or be used to screen a database of molecules to identify potential ligands. Version 4.0 was a major rewrite and update of Dock.