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<p>Hi Nigel,</p>
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<p>Actually, this may have been due to a mistake on my part leading to a bad input structure. I will double-check tomorrow and let you know. I do know that many older structures containing N-acetyl sugars have the amide bond badly twisted suggesting that at
some point the restraint libraries didn't cover it. If this case turns out to be my fault I apologise for the false alarm.</p>
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<p>Best regards,</p>
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<p>Tristan</p>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Nigel Moriarty <nwmoriarty@lbl.gov><br>
<b>Sent:</b> Thursday, 21 January 2016 5:28 AM<br>
<b>To:</b> Tristan Croll<br>
<b>Cc:</b> phenixbb@phenix-online.org<br>
<b>Subject:</b> Re: [phenixbb] N-acetylgalactosamine lacking amide planarity restraint</font>
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<div dir="ltr">Tristan
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<div>Can you send the model so I can check what is happening.</div>
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<div dir="ltr">Cheers
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<div>Nigel
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<div>---</div>
<div>Nigel W. Moriarty<br>
Building 33R0349, Physical Biosciences Division<br>
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Berkeley, CA 94720-8235<br>
Phone : 510-486-5709 Email : NWMoriarty@LBL.gov<br>
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<div class="gmail_quote">On Mon, Jan 18, 2016 at 5:19 AM, Tristan Croll <span dir="ltr">
<<a href="mailto:tristan.croll@qut.edu.au" target="_blank">tristan.croll@qut.edu.au</a>></span> wrote:<br>
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<p>Hi,</p>
<p><br>
</p>
<p>I'm refining a structure that includes an O-linked N-acetylgalactosamine (NGA) residue, and from the way it's behaving the N-acetyl amide clearly has no restraints on its planarity. It's currently twisted almost 45 degrees from planar despite having no close
contacts.</p>
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<p>Cheers,</p>
<p><br>
</p>
<p>Tristan<br>
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