Funny enough, yesterday I asked Pavel a very similar question:<br><br>1. If resolution is high enough, lets say 1.5A or so, how can I
specifically release the restrains in the active site? To define atom
A, the first sphere, and second sphere.. example would be a phosphate,
oxygens of that and the side chain of amino acid residues which come
within a distance.. can you give me a syntax example for that?<br><br>Don&#39;t make programs which are too good, users start to ask for a lot :))<br><br>Cheers, Partha<br><br><br><div><span class="gmail_quote">On 10/9/07, 
<b class="gmail_sendername">Ralf W. Grosse-Kunstleve</b> &lt;<a href="mailto:rwgk@cci.lbl.gov">rwgk@cci.lbl.gov</a>&gt; wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
&gt; Can I specify dihedral bond angles?<br><br>No, that&#39;s missing, too. The underlying library supports bond, angle,<br>dihedral, chirality, and planarity. Only the first two are currently<br>supported under geometry_restraints.edits.
<br>Ralf<br>_______________________________________________<br>phenixbb mailing list<br><a href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a><br><a href="http://www.phenix-online.org/mailman/listinfo/phenixbb">
http://www.phenix-online.org/mailman/listinfo/phenixbb</a><br></blockquote></div><br><br clear="all"><br>-- <br>MRC National Institute for Medical Research<br>Division of Molecular Structure<br>The Ridgeway, NW7 1AA, UK<br>
Email: <a href="mailto:pchakra@nimr.mrc.ac.uk">pchakra@nimr.mrc.ac.uk</a><br>Phone: + 44 208 816 2515