There are 4 different modes in FITTED: Dock, Local, Score and SAR.
Dock Normal docking run. No ligands are filtered out. This is the default. Score Scores the ligand input structure in the provided orientation against all input proteins. Local Performs a local search on the ligand input structure. The provided orientation/translation/conformation is used as a starting point and only slight modifications to the ligand conformation, orientation and translation are carried out. SAR Performs a local search on the ligand input structure. The provided orientation/translation/conformation is used as a starting point and only slight modification to the ligand orientation and translation are carried out while a complete search of conformations is done.
