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
On Sunday 28 January 2007 09:57, Gerard DVD Kleywegt wrote:
in principle, you could use 'floating chirality' (i.e., unrestrained
improper
of the chiral carbon) but this is likely to lead to distorted geometry
(i.e.,
an improper that lies somewhere in between +35 and -35 degrees).
