It's hard to know exactly what is going on without the files. I suspect some problem in converting shelx files to mtz.
The very latest Pointless (from 1.4.1, now 1.4.4) will convert ShelX input files, and work better (from our ftp site ftp://ftp,mrc-lmb.cam.ac/uk/pub/pre/pointless-1.4.4.linux pointless-1.4.4.tar.gz ) Phil On Tue, 2009-11-17 at 17:48 +0100, Michele Lunelli wrote: > I am doing SAD phasing with the latest autoSHARP and CCP4 6.1.1 (SCALA > version 3.3.9). The space > group is P21 with unit cell dimension 52.67, 28.61 and 105.16. If I give the > data as unmerged SHELX > file, it happens that the third cell dimension become identical to the first > when the data are > merged using SCALA. I put the whole log file as attachment. Is this a bug or > am I doing something wrong? > > > Michele
