Figure 1.

Solution encoding in AutoDock 4.2 and jMetal. The first three values (translation) are the coordinates of the center of rotation of the ligand. The next four values (quaternion) are the unit vector describing the direction of rigid body rotation (x, y and z) and the rotation of the angle degrees (w) that are applied. The rest of the values holds the torsion angles in degrees, n being the number of torsions of the ligand and also the receptor. Movements concerning the E_inter and E_intra calculation are also represented.