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 so
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 o
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
#
le
Dear all,
Please note the approaching deadline for submission of Block Allocation Group
(BAG) proposals for DESY beamline P11 at the PETRA III synchrotron in Hamburg.
Proposals are to be submitted via https://door.desy.de
The deadline for submission is
---
First - test other spacegroups - your solutions have lots of 60
degree angles - and the space group is hexagonal - there can be confusion
between cryst symmetry and homo-dimer symmetries.
If you go back to the data processing and read the pointless output
carefully for point group clues- Qs to che
Dear Luca,
I think all of those orientations are symmetry-related copies of the same
orientation. This would imply that there is tNCS, but it doesn’t look like
Phaser is applying tNCS. The second and fourth molecules are in the same
orientation, but differing by 1/6 of the a-axis cell transla
Dear Luca,
few possibilities:
1) Consider that you may have only 3 monomers in the asymmetric unit and not 4
as suggested from Matthew’s coefficient. Which are the R and Rfree values if
you refine this model with only 3 molecules?
2) When you look at the crystal packing on the correctly placed
