Hi all, I am trying to get multiple molecular replacement solutions on the same origin. I know this has been asked before, however, in my case I want to stick to CCP4 programmes (I am aware PHENIX can do this).
I have tried to get this to work using csymmatch which outputs the origin-shifted coordinates, but this gives me a solution which I can't apply to the reflections file (I am using phasechange to calculate the shifted mtz file), i.e: Change of origin: uvw = ( 0.08333, 0.5, 0.5 ) reforigin can bail due to cell dimension differences (I could recompile with a greater tolerance, but I'd rather not start messing with code). cphasematch obviously produces a sensible map with uvw=0.0,0.5,0.5, but I'd like to calculate the matching origin-shifted coordinates without having to write a fortran programme (is there a programme out there which can do this?). I'm guessing I can use clipper to do this in one easy step (preferably without having to merge the 2 mtz files in CAD), but I'd rather not have to re-invent the wheel if someone's done this already. Thanks for any help!
