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
