[phenixbb] dihedral error
s.kolstoe at ucl.ac.uk
Thu Aug 7 09:36:45 PDT 2008
I had already tried the hiccup TPO file which hadn't worked either,
but elbow seems to work well.
On 7 Aug 2008, at 16:30, Pavel Afonine wrote:
> Hi Simon,
> did you try to use eLBOW to generate a cif file? If you use PHENIX,
> 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?
>> phenixbb mailing list
>> phenixbb at phenix-online.org
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> phenixbb at phenix-online.org
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