[buster-discuss] Buster can't get cell from mtz?
Andrew Sharff
asharff at globalphasing.com
Wed Feb 18 10:17:55 CET 2015
Dear Sabine,
Sorry you are having a problem.
Can you send us the mtz file that tis giving this problem so we can look
at it ourselves.
Regards
Andrew Sharff
For buster developers
On 18/02/15 08:32, Sabine Schneider wrote:
> Hello everyone,
>
> 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
> (/home/sabine/data.mtz)
> 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:
> 1 unknown
> unknown
> unknown170215
> 69.4650 124.6470 153.8770 90.0000 90.0000 90.0000
> 0.96500
>
>
> Phenix, Refmac etc are happy with the file.
>
> Anyone an idea what's wrong?
>
> Thanks a lot!
>
> Sabine
>
>
>
--
----------------------------------------------------------
*Dr. Andrew J. Sharff D.Phil**
*Research Scientist / Software Developer
Global Phasing Ltd
Sheraton House
Castle Park
Cambridge CB3 0AX
UK
Tel: +(0)1223 353033
Fax: +(0)1223 366889
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