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Dear Monika,
What program did you use for MR? I would expect the output PDB file
has the correct cell and symmetry from the mtz-file you replaced against.
To answer your question: you can simply concatenate the two files
(e.g. with a text editor), remove the CRYST1 card and set it with pdbset:
pdbset xyzin your.pdb xyzout yourpdb_with_new_sg.pdb << eof
CELL yourA yourB yourC yourAlpha yourBeta yourGamma
SPAC yourSpacegroup
end
eof
Best,
Tim
On 02/18/2014 06:59 PM, Monika Coronado wrote:
> Dear,
>
> Does anyone know how to merge two molecules with different
> symmetry?
>
> I will explain:
>
> I have done the molecular replacement using the domains of the
> molecules separately, now I have to put all together, however they
> have a different symmetry.
>
> I will appreciate any kind of help.
>
>
> Regards,
>
>
>
> Mnika
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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