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.

This node was developed by Vernalis Research . For feedback and more information, please contact


Select the SDF or MOL column containing the conformers
The input molecule column
Remove input column
Remove the input molecule column from the output table

Input Ports

SDF or Mol table of molecules for processing

Output Ports

Table with molecules aligned to their Inertial Principal Axes


This node has no views


  • No workflows found



You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.