Thanks. Unfortunately, the space groups are different and cell
constants are not that close to each other. The phases are actually
from a cross-crystal averaging calculation. But the origins are
different.
-- Jianghai
On Jun 6, 2008, at 12:31 PM, Kevin Cowtan wrote:
> cphasematch will do that for you. Pick the "Phase comparison" task
> from the clipper-utilities moledule. Select the 'Match origin and
> hand' button, and an output MTZ box appears.
>
> It'll work out the shift for you, as long as you have some sort of
> phases for both cases.
>
> This'll only work though if the cell constants are close enough that
> you can actually merge the MTZ's sensibly. If that is not the case,
> you are really looking at a cross-crystal averaging calculation.
>
> Jianghai Zhu wrote:
>> Hi All,
>> I have a data set with experimental phases. I would like to shift
>> the origin of the phases so that it matches the origin of another
>> data set and phases, which has different cell constants. Any
>> suggestion of what tools has the ability to do this? i.e. shift
>> the origin by (0.0, 0.0, 0.5). Thanks.
>> -- Jianghai
>
|