Hi Yuriy,<div>Could you swap the A,B assignment for PHE?</div><div>The general rules are:</div><div> altloc " " (blank) interacts with all other altloc</div><div> altloc "X" only interacts with " " and "X"</div>
<div>Ralf</div><div><br><div class="gmail_quote">On Sat, Jul 23, 2011 at 12:04 PM, Yuri <span dir="ltr"><<a href="mailto:yuri.pompeu@ufl.edu">yuri.pompeu@ufl.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<br>
Dear All,<br>
I am having trouble refining multiple conformers that would clash into a neighbouring side chain that also has an alternate conformer.<br>
An attempt to clarify:<br>
Lets say a Tyr residue has conformation A1, but also moves into a position B1.<br>
In postition B, its side chain would clash into a neighbour Phe A2. However this Phe has another conformation B2.<br>
Bottom line, B1 and B2 would not clash, neither would A1 and A2. Any other combo (A1 B2, etc...) would clash.<br>
When I model it all in I see problems...<br>
I encounter the same situation with partially occupied HOHs.<br>
Whats the best way to deal with this<br>
Thank you<br><font color="#888888">
<br>
-- <br>
Yuri Pompeu<br>
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