schrodinger.structutils.standard_nuclear_orientation module

transform a Structure into a standard nuclear orientation

schrodinger.structutils.standard_nuclear_orientation.standard_nuclear_orientation(st)

Transform the structure to a standard nuclear orientation (SNO).

SNO means the center of mass is at the origin and the principal moment of inertia axes are aligned with the coordinate (x,y,z) axes.

Parameters

st (Structure instance) – structure to orient