Cant you enter the SG by hand in the GUI? Eleanor On 13 November 2014 17:43, Brad Bennett <bradbennet...@gmail.com> wrote:
> 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 >
