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Calculating the RMSd Over Other Zones and Atoms

Having fitted the structures using the ZONE and ATOMS commands to specify which residues and atoms should be included in the fitting, the RMS deviation may then be calculated over a different region of the structure and/or a different atom set.

This is achieved using the RZONE and RATOMS commands. The syntax of these commands is identical to that of the ZONE and ATOMS commands described in Sections 6 and 7.

As each RZONE or RATOMS command is given, the RMS deviation is reported over the new set of zones or over the new atom set. Don't forget the RZONE commands are cummulative, like the ZONE commands. Note that the RZONE * or RZONE CLEAR behaves slightly differently from ZONE * or ZONE CLEAR since it resets the zones to be the same as those specified for the fitting using ZONE, ALIGN or READALIGNMENT commands.



Andrew C.R. Martin
2002-07-19