It is possible to force Pointless to select a particular solution,
using the "Find or match Laue group" option in CCP4i. The default
option here is "Determine Laue group" but if you select the "Choose a
previous solution" checkbox you can specify the solution you want
Pointless to select, by Space group name, Laue group name or Laue
group solution number (from a previous run).
You can do the same with the "Symmetry, Scale, Merge (Aimless)" if you
check the tickbox "Customise symmetry determination" and then "Choose
a previous solution".
In cases of pseudosymmetry it is sometimes necessary to override the
solution Pointless thinks is best.
Andrew
On 12 Sep 2012, at 23:41, Cosmo Z Buffalo wrote:
Hi all,
I am currently trying to perform a quickscale in iMosflm 7.0.9 after
I integrate in an R 32 space group. Unfortunately, both Pointless
and Aimless are both giving me a best solution space group of P 43 3
2. After analyzing the statistics, this cannot be correct. Other
programs such as HKL2000 have confirmed this to be true. So my
question: is it possible to force Aimless and Pointless to generate
statistics in a space group other than the one it predicts? And if
so, how would I do this?
-Cosmo
