<div dir="ltr">Please send me the files directly.<div><br></div><div>NB. Any files sent to me will be held in strictest confidence.<br><br></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr">Cheers<div><br></div><div>Nigel<div><br></div><div>---</div><div>Nigel W. Moriarty<br>Building 33R0349, 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" target="_blank">CCI.LBL.gov</a></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Fri, Oct 2, 2015 at 2:24 PM, Xiao Lei <span dir="ltr"><<a href="mailto:xiaoleiusc@gmail.com" target="_blank">xiaoleiusc@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">Hi Nigel, <br>
I did import the restraint (the cif file generated from eLBOW) into coot and still has the error issue.<br>
Thanks</p><span class="HOEnZb"><font color="#888888">
<p dir="ltr">Xiao</p></font></span><div class="HOEnZb"><div class="h5">
<div class="gmail_quote">On Oct 2, 2015 1:23 PM, "Nigel Moriarty" <<a href="mailto:nwmoriarty@lbl.gov" target="_blank">nwmoriarty@lbl.gov</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><span style="font-size:12.8px">Did you load the restraints dictionary from eLBOW into coot using File -> Import CIF dictionary?</span><br><div class="gmail_extra"><br clear="all"><div><div><div dir="ltr"><div><div dir="ltr">Cheers<div><br></div><div>Nigel<div><br></div><div>---</div><div>Nigel W. Moriarty<br>Building 33R0349, 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 : NWMoriarty@LBL.gov<br>Fax : <a href="tel:510-486-5909" value="+15104865909" target="_blank">510-486-5909</a> Web : <a href="http://CCI.LBL.gov" target="_blank">CCI.LBL.gov</a></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Fri, Oct 2, 2015 at 12:26 PM, Xiao Lei <span dir="ltr"><<a href="mailto:xiaoleiusc@gmail.com" target="_blank">xiaoleiusc@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div dir="ltr">Hi Phenix BB members,<div><br></div><div>I tried to generate restraints of 3-METHYL-BETA-D-ASPARTIC ACID (PDB 3 letter code ACB, <a href="http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=ACB" target="_blank">http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=ACB</a>). I am using this as a template for D-iso-aspartic acid in my model because I can not find a 3 letter code for the exact D-iso-aspartic acid (I know for L-iso-aspartic acid the code is IAS but no code for D-iso-aspartic acid)</div><div><br></div><div>I can search in Phenix eLBOW (Mac Phenix Version 1.10pre) with code ACB and I can find the code and right compound, I tried to generate restraints of ACB using eLBOW and I got a cif and pdb output of the compound. However when I import the compound into coot, delete the methyl group to make the compound a D-isoAsp, and click "edit chi angles", I receive an error: This residue does not have assigned torsion/chi angles". I do not know what I should do to fix the problem. I thought eLBOW would automatically generate Chi angles but actually it did not in my case. I appreciate if you have any input on this. </div><div><br></div></div>
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