[phenixbb] Chirality of Ribityl chain of FMN inverted

Yuri yuri.pompeu at ufl.edu
Thu Oct 13 11:41:36 PDT 2011

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 
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
Yuri Pompeu

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