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
Hi Mark
This tells you how to do it:
https://www.wwpdb.org/deposition/PDBxDeposit
Cheers
-- Ian
On Sat, 30 Oct 2021, 00:04 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
sorry, you can ignore my question.
The mmcif file is output all along, for some reason I had never noticed it.
how stupid of me...
Mark J van Raaij
Dpto de Estructura de Macromoleculas
Centro Nacional de Biotecnologia - CSIC
calle Darwin 3
E-28049 Madrid, Spain
Section Editor Acta Crystallographic
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
