cphasematch should do the job. I presume you did a structure factor calculation for one or both models?
I'm not clear what the problem is with that. Is it that it is giving you the wrong shift? On 30 July 2013 14:33, Mo Wong <mowon...@gmail.com> wrote: > 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! > -- EMAIL DISCLAIMER: http://www.york.ac.uk/docs/disclaimer/email.htm
