Align to Inertial Principal Axes
The node moves the centre of mass to the origin and rotates the molecule to align the co-ordinate axes with the inertial principal axes (or inertial reference frame). The first principal axis will be aligned to the x-axis.
- Type: Data SDF or Mol table of molecules for processing
- Type: Data Table with molecules aligned to their Inertial Principal Axes
Community Nodes > Vernalis > Principal Moments of Inertia (PMIs)
Make sure to have this extension installed: