On 11/08/10 11:11, Dr. STEPHEN SIN-YIN, CHUI wrote:
> My protein has two chains A & B. The space gp is P212121. If I want to have a
> new PDB file containing the symmetry-equivalent molecule of B (x+1/2, -y+1/2,
> z+(0 -1 0)), and keep the chain A (x,y,z) unchanged. How can I do this COOT?
>
Here's one way:
Extensions -> Modelling -> Copy Fragment -> //A/
Extensions -> Modelling -> Copy Fragment -> //B/
Extensions -> Modelling -> New Molecule from Symmetry Op (add the
translation in-place)
(this operation may not work if you don't have a recent version so you
could also try panning around for the symmetry-related molecule you want
and save it with File -> Save Symmetry Coordinates. You'll then have to
read in that file.)
Then Calculate -> Merge (the appropriate) Molecules
Paul.
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