[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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