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Hi Hailiang,<br>
<br>
<blockquote
cite="mid:59758.168.7.112.146.1306539073.squirrel@webmail.umbc.edu"
type="cite">
<pre wrap="">Sure! Maybe I can prepare Fc with solvent modeling and anisotropic scaling
first. However, I am not sure how to generate the U_overall matrix in your
formula. The U_overall given by the pdb header is acturally in Cartesian
coordinate, and a "diagonalization matrix" is needed to do a
transformation before applying to h/ht. Not sure how to generate the
"diagonalization matrix" (still doing research:-(, any help will be
</pre>
</blockquote>
<br>
can't we just use a PDB file or it is not available for whatever
reason in your context? <br>
Like I said before, anisotropic scaling can be done without model,
so you don't have to do it. If you still want to, then everything is
described in this paper:<br>
<br>
<span class="Apple-style-span" style="border-collapse: separate;
color: rgb(0, 0, 0); font-family: Times; font-style: normal;
font-variant: normal; font-weight: normal; letter-spacing: normal;
line-height: normal; orphans: 2; text-indent: 0px; text-transform:
none; white-space: normal; widows: 2; word-spacing: 0px;
font-size: medium;"><span class="Apple-style-span"
style="font-family: verdana,helvetica,arial,sans-serif;
font-size: 14px;">P.V. Afonine, R.W. Grosse-Kunstleve & P.D.
Adams. Acta Cryst. (2005). D61, 850-855. "A robust bulk-solvent
correction and anisotropic scaling procedure"</span></span><br>
<br>
Good luck!<br>
Pavel.<br>
<br>
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