How about you manually fix the alpha anomer into the density and save it
as a pdb with the names of atoms different from the beta and then create
restraints using the monomer library, then maybe merge the two libraries
and use it for refmac.
Arti Pandey
Montana State University
Hi there,
> I am refining a lectin-carbohydrate complex. The electron density clearly
> shows that a mixture of alpha- and beta-anomers of the sugar have bound in
> the crystal. How can i generate appropriate restraints for the
> carbohydrate with alternative conformations (i.e. alpha- and beta-anomer)?
> At the moment, i use the beta-anomer dictionary from refmac for
> refinement. Consequently, both conformations are pushed in the
> beta-position.
> Greetings, David
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