ORTEP-SUB - MolFit by Clicking


A (Quaternion based) fit will be done of molecule 1 on molecule 2.

Both molecules will in general be chemically equal. However, unequal molecules may be fitted as well (usually in the form of two concatenated 'PDB-style' datafiles as input.

Atoms to be used for the fit (at least 5 pairs) should be clicked in pairs. The Fit sequence starts and ends by clicking on the menu-item FITbyCLICK.

For more information on molecule fitting see FIT and AUTOFIT.

The Left click position attempts the best fit including inversion.


PLATON HOMEPAGE
9-May-2001 A.L.Spek