[phenixbb] dihedral error

Folmer Fredslund folmerf at gmail.com
Thu Aug 7 08:01:00 PDT 2008


Dear Simon

2008/8/7 Simon Kolstoe <s.kolstoe at ucl.ac.uk>:
> 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?
>

I guess you could try and use the naming from a phospho-threonine residue?
try having a look at HIC-Up, a phosphothreonine is tpo

http://xray.bmc.uu.se/hicup/TPO/index.html
or
http://xray.bmc.uu.se/hicup/
to start a search

HTH

Regards,
Folmer



> Thanks,
>
> Simon
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>



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