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 [email protected]
