Re: [ccp4bb]: converting Fobs into mmCIF format

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Florian Schmitzberger wrote:
> Dear all,
>  
> I was wondering where I can find the utility in ccp4 to convert my Fobs 
> into mmCIF-format (i.e. the required format for pdb-submission). Also I 
> would like to know how I can convert Fobs in mmCif format back into a 
> map/phases-file.
>  
> Thanks very much for any suggestions.
>  
> Florian
>  
>

  Go to reflection utilities, convert from mtz, choose CIF output..


  Alternatively - convert to mtz.
Input mmCIF - but beware - it isnt very clever at reading the mmCIF 
header, and mmCIF fies come in a variety of formats..
I usually take the Luddit way - input user defined, and count the number 
of lines to skip, give a format sttt, and labels.for anything in the 
mmCIF file.

Eleanor.

  ----------------------------------
> Florian Schmitzberger
> Department of Biochemistry
> University of Cambridge
> 80 Tennis Court Road
> CB2 1GA Cambridge
> Tel: +44 1223 766029