OMEGA is a tool for generating 3D conformations of molecules. OMEGA provides 2 different methods for conformation generation: torsion driving and distance geometry. The torsion driving method works best on molecules that do NOT contain large, flexible rings, while the distance geometry method works for all molecules but has been designed for molecules that do contain large, flexible rings (macrocycles).
OMEGA can be used using various pre-set modes that generates conformers suitable for different downstream applications.
classicmode is the original customizable OMEGA interface.
rocsmode generates conformers for ROCS.
fastrocsmode generates conformers for FastROCS.
posemode generates conformers for OEDocking.
densemode generates conformers for Freeform.
macrocyclemode is different than the other modes, in that it uses a different algorithm, and is suitable for conformation generation of molecules contain large, flexible rings (macrocycles).