The TABS for a conformer is a vector with binned values of each of its torsional degrees of freedom. In order to generate a TABS, we developed an approach to determine the number of rotameric states each rotatable bond can adopt and to bin the actual torsion values. Per conformer, this will result in one label with a total length equal to the number of rotatable bonds. As illustrated in Figure , the label is obtained from the vector form of the torsions state numbers.