Hi Pavol, Garib
Actually, that bit of doc doesn't answer a few practical questions we
keep running into:
1) What spacegroup should you provide the data in? The usual scenario,
in practice, is that one merges in too high symmetry, and wants to check
whether it is actually lower symmetry with twinning.
2) What spacegroup should the *model* be? The highest symmetry?
3) What exactly is refmac doing: is it expanding the model to the lower
symmetries starting from your model?
4) Will it also test for the "funny" ones (e.g. C222 which is actually
P2 twinned).
Cheers
phx.
Pavol wrote:
Dear Kim,
yes, Refmac handles pseudo-merohedral twinning. The procedure is fully
automatic and there is not much to change but the documention can be found
here:
http://www.ccp4.ac.uk/html/refmac5/keywords/keywords_5_5.html#Twin
Pavol
