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Darren Nickerson dnicker at sable.ox.ac.uk
Fri Aug 4 15:06:39 EST 1995

Howdy all.  Would anyone care to venture the charges I should use, or the
format of the patch I might use to account for a water bound to the Fe(III)
of Kuriyan's TOPH19X.HEM?  The Fe will be bound CYS on the other side.

Most importantly I need suggestions for type and charge of the O of the water,
and the new Fe charge. . . 

Many thanks!

Darren Nickerson
New Chemistry Laboratory
University of Oxford

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