Antechamber

The most common use of the Antechamber program suite is to prepare input files for LEaP, starting from a three-dimensional structure, as found in a PDB file. The antechamber suite automates the process of developing a charge distribution and assigning atom types, and partially automates the process of developing parameters for the various combinations of atom types found in a given molecule. Antechamber can automatically generate input force field parameters for most organic molecules, thereby allowing users to use AMBER, also through AMPS-NMR web portal, to refine the structure of protein-ligand adducts.