<div dir="ltr">Jens<div><br></div><div>You should try </div><div><br></div><div>phenix.ligand_linking model.pdb</div><div><br></div><div>to see if that is helpful. I think, though, that you should send me an example so I can check the best method.</div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature"><div dir="ltr">Cheers<div><br></div><div>Nigel<div><br></div><div>---</div><div>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" target="_blank">CCI.LBL.gov</a></div></div></div></div></div>
<br><div class="gmail_quote">On Thu, Dec 4, 2014 at 9:47 AM, jens j birktoft <span dir="ltr"><<a href="mailto:birktoft@nyu.edu" target="_blank">birktoft@nyu.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Hi Everybody.<div><br></div><div>Are there ways to restrain non-covalent interactions between molecules in adjacent asymmetric units?</div><div>I know the custom bond procedure works well for covalent bonds. However I also would like to add restraints for (1) bond angles, (2) torsion angles (less important) and (3) nucleotide base-pairing. I know that all of these can be generated via the custom bond syntax, but that is a rather tedious and time-consuming process. Perhaps there is a simpler way</div><div><br></div><div>I know this issue has been raised before but am unaware of any new developments.</div><div><br></div><div>Cheers</div><span class="HOEnZb"><font color="#888888"><div><br></div><div>Jens<br clear="all"><div><br></div>-- <br><div><div>+++++++++++++++++++++++++++++++++++++++++++++++++++<br>Jens J. <span style="background-color:yellow;background-repeat:initial initial">Birktoft</span></div><div><span style="background-color:rgb(255,255,204);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">Director</span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)"> </span><span style="background-color:rgb(255,255,204);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">of</span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)"> </span><span style="background-color:rgb(255,255,204);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px">Crystallography</span><span style="color:rgb(136,136,136);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)"> </span></div><div>Structural DNA Nanotechnology</div><div>Chemistry Department,<br style="font-family:arial,sans-serif;background-color:rgb(255,255,255)">New York University</div><div>e-mail: <a href="mailto:jens.knold@gmail.com" target="_blank"><span style="background-color:yellow;background-repeat:initial initial">jens</span>.<span style="background-color:yellow;background-repeat:initial initial">knold</span>@gmail.com</a>; Phone: <a href="tel:212-749-5057" value="+12127495057" target="_blank">212-749-5057</a><br>very slow-mail: 350 Central Park West, Suite 9F, New York, NY 10025<br>+++++++++++++++++++++++++++++++++++++++++++++++++++</div></div>
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