Hello all,<br clear="all"><br>
I am trying to explore a range of different possible angles between two
domains of my protein by adding the following restraint (and modifying
the angle setting each time):<br>
<br>
class mymodel(automodel):<br>
&nbsp;&nbsp; def special_restraints(self, aln):<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; rsr = self.restraints<br>
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; rsr.add(atom_ids=(&#39;O:67&#39;, &#39;CE3:146&#39;,
&#39;CA:149&#39;), restraint_parameters=(3, 1, 2, 2, 3, 2, 1, 2.618, 0.010))<br>
<br>
However, the results I&#39;ve been getting are varying by far more than the
standard deviation I&#39;ve set. The restraint is in the .rsr output file,
and the log files have not generated any insightful warnings or errors.
What modification should I make to more strictly enforce this
restraint? Also, can I get modeller to fail by setting the restraint to
an extreme?<br>
<br>
With Thanks,<br>
Brandon Mills<br>
<br>
<br>-- <br>Brandon Mills<br><a href="mailto:bmm25@pitt.edu">bmm25@pitt.edu</a><br>