On Fri, Oct 14, 2011 at 2:41 AM, Yuri <yuri.pompeu@ufl.edu> wrote:

Hello Developers,
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
R configuration at that particular center.
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
Cheers,
--
Yuri Pompeu
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