<div dir="ltr">Rongjin<div><br></div><div style>You can do</div><div style><br></div><div style>phenix.elbow --chemical-component=TBA</div><div style><br></div><div style>to get a restraints file. Then you can use</div><div style>
<br></div><div style>phenix.reel TBA.cif</div><div style><br></div><div style>to edit the file and change the element. You can then save a restraints and PDB file for your future needs.</div><div style><br></div><div style>
Nigel</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Tue, Jun 11, 2013 at 8:45 AM, Rongjin <span dir="ltr"><<a href="mailto:guanrj@foxmail.com" target="_blank">guanrj@foxmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hello Phenix users,<br><br>I have tetrabutylphosphonium in my crystal. I found a similar compound tetrabutylammonium (PDB residue name TBA) which are found in several PDB entries. <br>
<br>Usually I draw the new compound in 2-D format and convert to 3D and then create restrain files. In this case, considering N and P are very similar, will the TBS be helpful for elbow to generate restrains for tetrabutylphosphonium? <br>
<br>Thanks<br><br>Rongjin Guan <br><br>_______________________________________________<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>
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