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I guess you mean you have one ha per monomer? To use CCP4 tools - you can use mapmask to mask out a sphere of density around your heavy atom. Give the atom a "radius" of 10A of something big to get a decent lump, and make sure it looks sensible.. (Use your best phases here of course) Then use that density as your search model for MOLREP - you can see how to do that from the GUI I think.. (Make sure the matrices DO transform your ha in mol 1 to the ha sites in the other molecules! Then input the matrices you get into DM with the averaging option - that will refine the rotation matrices, and usually improves the maps greatly. Eleanor Partha Chakrabarti wrote: > Hi, > > Apologies for a non CCP4 question in strict sense. I am trying to work > out the NCS operators for a three wavelength > Se-MAD data which has only one site. The map is hardly interpretable. > I came across the USF Rave package and what I am aiming is > > creak a mask around the heavy atom site (found by SHELX or Solve) > using mama or so, (ideally from resolve.mtz but not necessarily), > > translate it to the other heavy atom site(s), > give a 6d search with NCS6d and > perhaps refine the best CC a bit with imp. > > If it works, I could try use the NCS operator in DM or Resolve etc. > > I was wondering if someone has a C-shell scripts for dealing with such > situation already. Of course if there are other programs for such a > task within CCP4, could give it a try. > > Best Regards, > Partha > > >