Dockit is a distance geometry based suite of programs for computing the docking geometries of small molecule ligands to protein binding sites.

Features:

Setup of protein is automatic in most cases.
Only connectivity information is necessary for ligands. The three dimensional coordinates are computed in the course of docking the ligands into the receptor site.
DockIt is fast and robust. It is capable of screening large databases. A parallel version of DockIt (based on PVM) is included.

Introduction