Name: CalculateRMSD
Author: Mike Cherry
Created: 20th Nov 2009

Purpose: Calculates the RMSD between two molecules.

Description: The first molecule to enter the component is taken as a template by which all subsequent molecules will be compared. You have the option to calculate the RMSD with or without first aligning the molecule to the template. You can specify whether AllHeavyAtoms from the template are used in the calculation or a subset and also whether to highlight the atoms mapped in the target molecules. A dummy set of molecules is created as an example from the maybridge sd file supplied as example data in the chemistry collection.

Requirements: Chemistry collection

Limitations: not known - only tested in PP7.5