OMEGA

OMEGA is designed to sample accurately the conformational space of a wide variety of molecules. It generates multi-conformer databases with high speed and reliability, using two different algorithms, one for broadly drug-like molecules and one for highly flexible linear or macrocyclic molecules.

OMEGA samples the conformational space of drug-like molecules at speeds of hundreds of thousands of compounds per day on a CPU, and over a million molecules per day on a GPU.

OMEGA is very effective at reproducing bioactive conformations [1,2], and provides an optimal balance between speed and performance when used on large compound databases [3].

OMEGA conformational databases can be used as input to a variety of applications including docking engines (FRED), shape comparison tools (ROCS®), ligand posing (POSIT), and pharmacophore perception algorithms.

OMEGA produces high-quality ensembles of conformations, with higher accuracy than those from many other methods [4]. It has also been found to be the fastest of all commercially available conformer generators for drug-like molecules [5] and one of the fastest for macrocycles [6]. For more detailed information on OMEGA, check out the link below: