Hi Yuri, <br>I'm struggling with the similar problems you coped with, is the problem solved? <br>If so , how you solved it?<br><br>Thank you in advance!<br><br><div class="gmail_quote">On Fri, Oct 14, 2011 at 2:41 AM, 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">Hello Developers,<br>
When I built Ligand restraints using eLBOW, my resulting .pdb had an inverted chiral center in the ribityl chain of the flavin mononucleotide particularly C4'. In the database the ligand had an S configuration (correct), but after minimization and restraint generation the output had<br>
R configuration at that particular center.<br>
I wonder if there is a way to enforce the configuration for each center, although I suspect it could be a little bug, because I noticed my restraints have that center annotated as S eventhough it is R in the actual .pdb<br>
Cheers,<span class="HOEnZb"><font color="#888888"><br>
-- <br>
Yuri Pompeu<br>
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