[sharp-discuss] Se-minus-S pseudo atom

Gregory D Bowman gdbowman@uclink.berkeley.edu
Wed, 03 Mar 2004 15:38:09 -0800


Hi all -

For the "MAD + native" scenarios on the web, it is suggested that one can either have two sets of 
heavy atom files, one for Se (MAD) sites and the other for S (native) sites, or one can have just 
one set specifying a pseudo atom Se-S for the MAD dataset. Given my lower resolution (about 3A) I 
think that fewer sites to refine would work better. How does one go about specifying this pseudo 
atom so that it is recognized?

Many thanks,

Greg