[buster-discuss] Buster can't get cell from mtz?
sabine.schneider at cup.uni-muenchen.de
Wed Feb 18 09:32:23 CET 2015
I am trying to run buster but I get the following error:
refine -p ../building/model.pdb -m ../data.mtz -d refine.1
ERROR : [refine-0022] a check of the input MTZ file
gave an error - even after we tried to fix it. For
details see above and refine.1/mtzchk.2.log. If you
don't want to do these checks (and want to use the
MTZ file as it is): please use the command-line
option UseMtzchk="no". You'd be doing this at your
own risk and don't recommend this!
refine -p ../building/model.pdb -m ../data.mtz -d refine.1 UseMtzchk="no"
ERROR : [refine-0024] unable to get cell from MTZ file
The data were processed with xds and than converted to mtz and test
reflections generated with xdsconv. I than also went from xds ->
pointless -> aimless to mtz, with the same buster-errors.
Colums are: FP, SIGFP, FreeRflag (xdsconv) or FreeR_flag, F_3.3,
SIGF_3.3, DANO_3.3, SIGDANO_3.3, F_3.3(+), SIGF_3.3(+),
F_3.3(-),SIGF_3.3(-) ISYM_3.3, IMEAN_3.3, SIGIMEAN_3.3, I_3.3(+),
SIGI_3.3(+), I_3.3(-), SIGI_3.3(-) (aimless)
* Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:
69.4650 124.6470 153.8770 90.0000 90.0000 90.0000
Phenix, Refmac etc are happy with the file.
Anyone an idea what's wrong?
Thanks a lot!
Dr. Sabine Schneider
Junior Research Group Leader
Technische Universität Munich
Department of Chemistry
Chair of Biochemistry
Tel.: +49 (0) 89 289 13336
Fax: +49 (0) 89 289 13363
More information about the buster-discuss