Hi
I am trying to refine my structure anisotropically by shelxl.
When I use, "ANIS", all the atoms including water becomes anisotropic.
(a) If I want to make only protein residues and ions (SO4 and Acetate) and
not the waters, how should I declare ANIS in the .ins file.
(b) If I modify or add any residues/ions, then in the next step how ANIS
should be declared to make only modified residues/ions anisotropic after few
cycle of isotropic refinement.
Thanks for the suggestion/comments.
Sam
_________________________________________________________________
Find what you need at prices you’ll love. Compare products and save at MSN®
Shopping.
http://shopping.msn.com/default/shp/?ptnrid=37,ptnrdata=24102&tcode=T001MSN20A0701
|