Thanks Fellows,
> I agree with Marcin that his GEMMI program is the way to go. It does
> everything you need and Marcin is very quick to respond to any issues.
Yes, found it also in the windows distribution will try
> From your description the axes in the SG symbol have been permuted
Hi Bernhard
I gave up trying to use CIF2MTZ in the STARANISO server over a year ago. I
agree with Marcin that his GEMMI program is the way to go. It does
everything you need and Marcin is very quick to respond to any issues.
The problem is that there are alternate settings in the PDB so the
Dear Bernhard,
CCP4 has an alternative command-line tool for this; less tested but
happens to preserve P 21 2 21:
gemmi cif2mtz input.cif output.mtz
Marcin
On Wed, 6 Jan 2021 at 20:39, Bernhard Rupp wrote:
>
> Dear Developers,
>
>
>
> running cif2mtz in ccp4i (or from the console) in the case
Dear Developers,
running cif2mtz in ccp4i (or from the console) in the case of non-standard
settings of space group 18 (which should be discouraged, to phrase it
mildly)
on the mmcif from the PDB
_symmetry.space_group_name_H-M "P 21 2 21" <--
_symmetry.Int_Tables_number 18
#
