Dear Oliviero,
The suggestion made by Tim Grüne is probably best, you didn't specify
exactly what you have in the mmCIF file.
Anyway, openbabel should be able to read mmCIF files and write a CIF,
(https://openbabel.org/wiki/MmCIF)
Best regards,
Folmer
On 2017-11-14 14:16, Oliviero Carugo w
Dear Oliviero,
depending where the mmCIF originates from, and provided you have data with it,
it might be easiest to go
mmCIF -> PDB -> SHELXL (via PDB2INS) -> CIF (via the SHELXL ACTA command).
Best,
Tim
On Tuesday, November 14, 2017 2:16:06 PM CET Oliviero Carugo wrote:
> Dears,
>
> does any
Dears,
does anybody know how to transform an mmCIF file of the Protein Data
Bank into a CIF file (the slightly different format used in small
molecule crystallography)?
Thanks,
Oliviero
