If you want to shift the coordinates, just use a superposition program.
If you want to know the exact shift to best match phases you need to CAD
together phases calculated from each model, then use PhaseComparison
(reflection utility) That will tell you the shft, and whether there is
an allowed origin shift.
Eleanor
On 11/18/2010 10:42 AM, Ian Tickle wrote:
HI Rojan,
I'm not entirely clear that there is a problem. After superposition
any origin shift that may have been present is removed: doesn't that
solve your problem?
Cheers
-- Ian
On Thu, Nov 18, 2010 at 10:11 AM, Rojan Shrestha<[email protected]> wrote:
Hello:
In polar space group when the two or more copies molecules are superimposed,
the origin is shifted.
Does anybody have the solution to tackle this problem?
Regards,
Rojan
