As already said earlier, try Platon.
Alternatively you may use Superflip (Lukas Palatinus, EPFL:
http://superspace.epfl.ch/superflip/) which contains a symmetry
determination routine, described in the december 2008 issue of J. Appl.
Cryst. Lukas or me may give you suggestions how to use it.
b
Dear Stephen,
years ago I wrote a program suite to determine symmetry from
observed intensities. It needs single crystal data and is not fully
automatic, i.e. it doesn't give you a list of sp gr but it calculates a
reliability index for symmetry elements and sp gr you want to check.
best
migu
In short: There may be crystallographic symmetry by disorder.
If both the complexes are randomly set to both the positions,
you may have indeed a symmetry center.
Joerg
Am Mittwoch, den 05.11.2008, 15:56 +0800 schrieb [EMAIL PROTECTED]:
> Dear all,
>
> Recently, I have refined the structure usin
Try Platon by Ton Spek.
Lubo
On Wed, 5 Nov 2008 [EMAIL PROTECTED] wrote:
Dear all,
Recently, I have refined the structure using powder data. In each asymmetric
unit of Pmc21, there are two chemically similar but crystallographically
different complexes. The center of these two complexes is
