Re: [ccp4bb]: converting Fobs into mmCIF format

["M.D.Winn" <M.D.Winn@dl.ac.uk>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***


For command line, the programs are mtz2various (mtz -> mmcif)
and cif2mtz (mmcif -> mtz)

>From the GUI, Validation&Deposition->Structure Factors for Deposition
(this is a little more customised than the Convert from MTZ task).
And Reflection Data Utilities->Convert to MTZ and Standardise
for import.

For cif2mtz, see the warning in the documentation about
how it deals with hkl/-h-k-l pairs.

Regards
Martyn

> 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.=20
> 
> Thanks very much for any suggestions.
> 
> Florian
> 
> ----------------------------------
> Florian Schmitzberger
> Department of Biochemistry
> University of Cambridge
> 80 Tennis Court Road
> CB2 1GA Cambridge
> Tel: +44 1223 766029


**************************************************************************
*                                                                        *
*                  Dr. Martyn Winn                                       *
*                                                                        *
*      Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND     *
*      Tel: +44 1925 603455    E-mail: m.d.winn@ccp4.ac.uk (personal)    *
*      Fax: +44 1925 603825    E-mail: ccp4@ccp4.ac.uk  (CCP4 problems)  * 
*          URL: http://www.ccp4.ac.uk/martyn/martyn.html                 *
**************************************************************************