ssm will superpose things from secondary structure and give you the
operator. You will have to recognise which symm op it corresponds to.
I usually use distang - put the coordinates together with diff chain
IDS, then look for close matches of CAs to your chosen favorite. That
gives the symm ops andthe renumbering as well . I have never seen that
using graphics helps much at this stage..
distang xyzin composite.pdb
RADI CA 1
end
Then you regenerate the bits you want with pdbset/ symgen and so on.
Eleanor
It gives Phil Evans wrote:
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Is there a program somewhere which will give me the best symmetry
operation to superimpose two molecules? I'm trying to compare
different autobuilds where the different programs have built different
asymmetric units (sometimes for different fragments). The residues
numbering is random of course.
I've tried
Coot, but the writing out of symmetry-related coordinates
is currently broken,
ccp4mg but I don't seem to be able to get symmetry-related neighbours
of molecule 1 (say) around the position of molecule 2, only around its
own position
any suggestions?
Phil
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