[phenixbb] Chirality of Ribityl chain of FMN inverted

[ChenTiantian]

Hi Yuri,
I'm struggling with the similar problems you coped with, is the problem
solved?
If so , how you solved it?

Thank you in advance!

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



-- 
Tiantian
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