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

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