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Maia<br>
<br>
If you have an example geometry of the C2'-endo eLBOW can generate the
restraints. I'm happy to generate them for you if you have one. I'm
provide a detailed procedure to list after.<br>
<br>
Nigel<br>
<br>
On 10/24/08 9:03 AM, Ralf W. Grosse-Kunstleve wrote:
<blockquote cite="mid:200810241603.m9OG3QCQ008573@cci.lbl.gov"
type="cite">
<blockquote type="cite">
<pre wrap="">The answer is yes but there may be better options. Ralf is the best
person to answer this question but one option is to start with the .cif
file in the monomer library.
</pre>
</blockquote>
<pre wrap=""><!---->
This is more a chemistry question than a formatting question.
Since I'm not deeply familiar with the DNA chemistry, I was pointing
Maia to phenixbb in hopes that someone may already have figured out
the list of torsion angle restraints to fix sugar puckers.
What Maia really wants is:
</pre>
<blockquote type="cite">
<pre wrap="">could you please send me a specific example of how to modify a cif file
to specify the sugar puckers in DNA (I want them C2'-endo).
</pre>
</blockquote>
<pre wrap=""><!---->
Has anyone on this list done this already?
Ralf
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</pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709
Fax : 510-486-5909
Email : <a class="moz-txt-link-abbreviated" href="mailto:NWMoriarty@LBL.gov">NWMoriarty@LBL.gov</a>
Web : CCI.LBL.gov</pre>
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