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Dear all,
I have a protein structure solved at 2.5 A by molecular
replacement. The space group is F222. Because this protein is soaked
with MnCl2, I was trying to use shelxCDE and crank (choose shelxD
option) to solve its heavy atom sites using SIR or SIRAS. Crank
generated correct solution. But solution generated by shelxCDE has
incorrect tanslation and rotation, although the relative distance
among heavy atoms are correct.
