Q.002 - How can I include non-standard residues in the RS-fit calculations ?

Category: S.002 - rs_fit

By reading an appropriate datablock which contains the name(s) of the atoms to be included in the calculations. If your water residues are called "WAT" and the oxygen atoms are called " OW ", then the following datablock does the trick:

 rsfit_WAT t 1 70
 OW

Put this into a file and use "read filename" to import it into O.