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Left: the relationship between the spherical polar (r,θ,φ) and Cartesian (x,y,z) coordinate systems; right: schematic illustration of the 6D rigid body search space in terms of one translational coordinate, R, and five Euler rotational coordinates, (βA,γA) and (αB,βB,γB), assigned to the receptor and ligand, respectively. Following the usual Euler angle convention, β rotations refer to the y−axis, and α and γ rotations refer the z-axis.
