Hi all-
I am trying to merge 3 Scalepack .sca files into 1 MTZ file using Aimless
in CCP4i (CCP4 version 6.4.0). However, Aimless fails with the error that
it does not recognize my rhombohedral space group (R32).
#CCP4I TERMINATION STATUS 0 "Spgr_descr: No such HM symbol"
I'm used to this as in the past when coming from HKL2000, I have
substituted H for R when running certain programs in CCP4. But even if I
edit my .sca files to replace H with R, it fails with the same error. Also,
it fails if I have a space between h and 3.
Here is the top few lines of one of my .sca files (I edited to substitute h
for r and put a space between h and 3):
6 h 32
1 0 0 0 1 0 0 0 1
0 0 0
0 -1 0 1 -1 0 0 0 1
0 0 0
-1 1 0 -1 0 0 0 0 1
0 0 0
0 1 0 1 0 0 0 0 -1
0 0 0
-1 0 0 -1 1 0 0 0 -1
0 0 0
1 -1 0 0 -1 0 0 0 -1
0 0 0
0 0 12 0 0 12 1 0 0 1 5102.6 319.8
0 0 15 0 0 15 2 0 0 1 196.4 16.4
0 0 18 0 0 18 3 0 0 1 179.8 13.8
0 0 21 0 0 21 3 0 0 1 2687.3 143.0
0 0 24 0 0 24 4 0 0 1 1272.8 63.4
0 0 27 0 0 27 5 0 0 1 810.6 42.5
0 0 36 0 0 36 7 0 0 1 7.9 20.6
0 0 39 0 0 39 8 0 0 1 43.5 21.1
0 1 41 1 0 -41 8 0 0 4 92.7 24.3
-1 0 41 1 0 -41 7 0 0 5 84.2 29.0
1 -1 41 1 0 -41 10 0 0 6 161.9 31.2
Any workaround here?
Thanks-
Brad
