If you cant import a file with symmetry labelled R32 but with a=b and
alpha=beta = 90, and gamma = 120 then something is wrong - the symmetry
checking looks at both name and cell.. or at least it used to..
The output mtz would have symmetry name changed to H32, but that is just
a name - in each case the sym ops and cell should be h32 style..
Eleanor
Ray Brown wrote:
Hi, I have read all of the past messages about the confusion of H32 and R32 and
I want to get the correct indexing sp that I can import the .sca file into
CCP4..
I use DENZO and SCALEPACK in HKL2000. If you read the manual then it states that
space group R32 should only be autoindexed by DENZO on a primitive lattice using
the DENZO keyword H32. This indeed gives a primitive unit cell and not the
hexagonal setting apparently demanded by CCP4 programs.
What do you do next? It is possible in SCALEPACK to reindex the H32 primitive
data into a rhombohedral hexagonal setting which SCALEPACK calls R32. Or course
you cannot import this .sca file into CCP4. Why not?
I can go into the .sca file and edit the header and change the R32 label to H32.
Does this screw up the indexing?
If anybody has successfully used DENZO/SCALEPACK/CCP4 in space group R32 then
please tell me how to do it correctly.
Cheers.
Ray
email ray-br...@att.net
