Yes, this script should work. You can also use OUTPUT CNS.
But the GUI is not up-to-date with the program. This is fixed now. You
can pick up fixes via the Problems Page
http://www.ccp4.ac.uk/problems.php#6.0.2-export-hl
or it will be in the next release.
Tip for newbies: you can always get around deficiencies in the GUI
with Run->Run&View Com File
Thanks also to Bernie Santarsiero who had already alerted us to this
problem.
Cheers
Martyn
On Wed, 2007-02-14 at 12:10 -0800, Kumar, Abhinav wrote:
> Hi Vineet,
>
>
>
> The following script should output the required CNS data file:
>
>
>
> mtz2various hklin Fobs.mtz HKLOUT Fobs.xpl << EOL
>
> LABIN FP=FP SIGFP=SIGFP FREE=FreeR_flag HLA=HLA HLB=HLB HLC=HLC
> HLD=HLD
>
> OUTPUT XPLOR
>
> END
>
> EOL
>
>
>
> Thanks
> Abhinav
>
>
>
>
>
> ______________________________________________________________________
> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
> Vineet Gaur
> Sent: Wednesday, February 14, 2007 11:32 AM
> To: [log in to unmask]
> Subject: [ccp4bb] mtz to hkl conversion
>
>
>
>
> Hi all
>
>
> i am trying to solve a structure using MIR by solve/resolve. With
> Solve/Resolve i have got FOM of 0.70 (3.3A) after density modification
> n we have got reasonable model as well, but most of it is without side
> chain. using this model we have determined the NCS rotation n
> translation matrices but we r not able to utilize the NCS information
> fully with solve/resolve n thus we have decided to shift to CNS.
> while shifting to CNS i need to convert mtz file to hkl format. i m
> using mtztovarious option of ccp4 for format conversion but in doing
> so the information related to HL coeff, which is there in MTZ file as
> well as the information abt FOBS and SIGMA is getting lost.
> is there any other other way of converting mtz file to hkl while
> retaining all the necessary information?
>
>
>
>
>
> Although i have native data up to 2.2A but i m unable to extend the
> phases beyond 3.0 with reasonable FOM. Is there any programme for
> model building which can work at resolution as low as 3.0.
>
>
>
> thanks in advance
>
>
> vineet gaur
>
>
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