The SMART Program

Small Molecule Atomtyping and Rotatable Torsion assignment

SMART is a tool to setup ligand files for their use with FITTED.

This program automatically identifies and labels the rotatable bonds of the ligands and assigns AMBER atom types. SMART is also used to identify functional groups and assigning descriptors to be used by the REDUCE program.

More details about the SMART program can be found in the references.