<div dir="ltr">Engin<div><br></div><div>I have been improving the glycosylation linking in Phenix and noted the lack of chirality and just plane wrong torsions. </div><div><br></div><div>Here is my current thinking about NAG-ASN. I have added torsions to the BETA1-4 etc in recent nightly builds and will be working on torsions soon. I shall keep you informed.</div>
<div><br></div><div>Cheers</div><div><br></div><div>Nigel</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Aug 28, 2013 at 5:00 PM, Engin Özkan <span dir="ltr"><<a href="mailto:eozkan@stanford.edu" target="_blank">eozkan@stanford.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>Dear Nigel,<br>
<br>
Can I please vote in favor of having torsion and chirality
restraints added to the monomer library for NAG-ASN links?
BETA1-4, etc. have them, why not NAG-ASN? Something like CNS has
for the equivalent B1N in "carbohydrate.top". This would really
help those of us cursed with glycosylation, and would make our
unfortunate lives wee bit easier.<br>
<br>
Cheers,<br>
Engin<br>
<br>
P.S. You may want to resend your post; I didn't receive your
attachment.<div><div class="h5"><br>
<br>
On 8/28/13 6:54 PM, Nigel Moriarty wrote:<br>
</div></div></div><div><div class="h5">
<blockquote type="cite">
<div dir="ltr">Fengyun
<div><br>
</div>
<div>Supply this file to phenix.refine to retain the chiral. I
have been debating adding this to the GeoStd so if it works
I'd like to see the result and maybe add it.</div>
<div><br>
</div>
<div>Cheers</div>
<div><br>
</div>
<div>Nigel</div>
</div>
<div class="gmail_extra"><br>
<br>
<div class="gmail_quote">On Wed, Aug 28, 2013 at 4:18 PM, <span dir="ltr"><<a href="mailto:fn1@rice.edu" target="_blank">fn1@rice.edu</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi
everyone,<br>
<br>
I am refining a glycoprotein model, and I have applied
NAG-ASN link to the ASN. But the beta-conformation of NAG
could not be retained after refinement for some sites. I
read the cif file and find that there are only angle
definitions for NAG-ASN. The dihedral and charility
information are missing. Is there a way that I could retain
the charility of C1 of NAG?<br>
<br>
Thank you!<br>
Fengyun<br>
<br>
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-- <br>
Nigel W. Moriarty<br>
Building 64R0246B, Physical Biosciences Division<br>
Lawrence Berkeley National Laboratory<br>
Berkeley, CA 94720-8235<br>
Phone : <a href="tel:510-486-5709" value="+15104865709" target="_blank">510-486-5709</a> Email : <a href="mailto:NWMoriarty@LBL.gov" target="_blank">NWMoriarty@LBL.gov</a><br>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Nigel W. Moriarty<br>Building 64R0246B, Physical Biosciences Division<br>Lawrence Berkeley National Laboratory<br>Berkeley, CA 94720-8235<br>Phone : 510-486-5709 Email : NWMoriarty@LBL.gov<br>
Fax : 510-486-5909 Web : <a href="http://CCI.LBL.gov">CCI.LBL.gov</a>
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