<div dir="ltr">Wei<div><br></div><div>I think the problem with the apply_cif_link may be that the atoms are more than 3 angstrom apart. Could you send me the cyclic peptide directly?</div><div><br></div><div>Nigel</div><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><br><div class="gmail_quote">On Thu, Dec 12, 2013 at 8:14 AM, wei xia <span dir="ltr"><<a href="mailto:weixia1984@outlook.com" target="_blank">weixia1984@outlook.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><div dir="ltr">Hi,�<div>I am trying to refine a structure with a cyclic peptide ligand.</div><div>I create a 'TRANS' link between the C-ter and N-ter residues of the cyclic peptide during refinement.</div><div>
But there is obvious no bond formed between the two residues in the refined structure.</div><div>I checked the geo file and found that there are only angle restraints but no bond restraints between the two residues</div>
<div>
Anyone can help me out?</div><div>Thanks in advance!</div><div><br></div><div>Wei</div><div><br></div><div><br></div><div>P.S.�</div><div><br></div><div><div>refinement.pdb_interpretation.apply_cif_link {</div><div><br></div>
<div>� � � �data_link = TRANS</div><div><br></div><div>� � � �residue_selection_1 = chain D and resname MVA and resid 5005</div><div><br></div><div>� � � �residue_selection_2 = chain D and resname ARG and resid 5001</div>
<div><br></div><div>� � �}</div></div> </div></div>
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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>
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