Blind RMSD Fit

Blind RMSD Fit

The Blind RMSD algorithm tries to superimpose structures having different atom naming and ordering conventions where the 'classic' Kabsch Algorithm can't. It does it by trying to find relatively unique atoms in the graph of the molecules and attempting to minimise the RMSD of the structure while aligning these comparable points. It does not guarantee finding the lowest RMSD alignment for vastly different molecules, but it does guarantee.

Reference Structure

Aligned Structure

Additional Parameters

Plotting Parameters