[phenixbb] dihedral error
pafonine at lbl.gov
Thu Aug 7 08:30:24 PDT 2008
did you try to use eLBOW to generate a cif file? If you use PHENIX, then
using eLBOW is an obvious choice to create cif files for your ligands:
phenix.elbow model.pdb --residue=XXX
phenix.elbow model.pdb --do-all
On 8/7/2008 7:40 AM, Simon Kolstoe wrote:
> 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
> " 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?
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> phenixbb at phenix-online.org
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