[phenixbb] calculate Fc for the whole unit cell from a Fc of a single symmetric unit.
Ralf Grosse-Kunstleve
rwgrosse-kunstleve at lbl.gov
Fri Jul 8 14:44:01 PDT 2011
Did you get responses already?
If not, could you explain your situation some more?
We have algorithms that do the symmetry summation in reciprocal space. The
input is a list of Fc in P1, based on the unit cell of the crystal. Is that
what you have?
Ralf
On Wed, Jul 6, 2011 at 1:38 PM, <zhangh1 at umbc.edu> wrote:
> Hi,
>
> I am wondering if I only have structure factors calculated from a single
> symmetric unit, is there any phenix utility which can calculate the
> structure factor for the whole unit cell given the symmetric operation or
> space group and crystal parameters? Note I don't have an atomic model and
> only have Fc.
>
> Thanks!
>
> Hailiang
>
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