Dear Mark
The keyword you want is
pdbout format mmcif
This is described here:
https://www.wwpdb.org/deposition/PDBxDeposit
Regards
John
On 2021-10-30 00:03, Mark J. van Raaij wrote:
Dear All,
this may be something simple but I can’t find it in the CCP4i GUI or
online.
Is there a keyword to make refmac output the coordinates as a cif file
instead of a pdb file - or better, as both?
Or is it some other program that converts the formats?
Mark J van Raaij
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
calle Darwin 3
E-28049 Madrid, Spain
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John Berrisford
PDBe
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD UK
Tel: +44 1223 492529
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