Re: [phenixbb] Chirality of Ribityl chain of FMN inverted

Tiantian Can you give me more details and the input files and commands you have tried. Send the details to me directly. Nigel On Mon, Jan 9, 2012 at 2:11 AM, ChenTiantian wrote:

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 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 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

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