[phenixbb] dihedral error

Simon Kolstoe s.kolstoe at ucl.ac.uk
Thu Aug 7 07:40:50 PDT 2008


phenix.refine keeps on stopping with the error:

AssertionError: Conflicting dihedral restraints:
   tor id: var_002
   1. definition from: residue: DRG, conformer A
   2. definition from: residue: DRG, conformer A
   atoms:
     " CB  DRG A 500 "
     " OG1 DRG A 500 "
     " PAL DRG A 500 "
     " OAF DRG A 500 "

It is for a phospho-threonine residue whose dictionary I made in  
PRODRG. I've tried all the different charge states of the phosphate  
however phenix gives the same error every time. Any ideas?

Thanks,

Simon



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