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5.39 Setting Occupancies

As well as the editing “Residue Info” to change occupancies of individual atoms, one can use a scripting function to change occupancies of a whole residue range:

example usage:

(zero-occupancy-residue-range 0 "A" 23 28)

This is often useful to zero out a questionable loop before submitting for refinement. After refinement (with refmac) there should be relatively unbiased density in the resulting 2Fo-Fc-style and difference maps.

Similarly there is a function to reverse this operation: