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On 01/20/2011 01:44 PM, Shao-Yang Ku wrote: > Dear all, > > Is there a way to specify (somewhat arbitrarily) a origin for any > molecular replacement package (in a polar space group) without resorting > to phased translation so that one could more easily compare results from > different MR runs? > > Thanks, > Shao-Yang > csymmatch is a brilliant tool for this csymmatch -pdbib newMR.pdb -pdbin-ref oldMR.pdb -origin-hand It shifts new to match the reference.. Eleanor