[phenixbb] Conflicting scattering type symbols: refine with TaBr

Nathaniel Echols nechols at lbl.gov
Fri Apr 23 13:40:58 PDT 2010

On Fri, Apr 23, 2010 at 1:31 PM, Francis E Reyes <Francis.Reyes at colorado.edu
> wrote:

> I'm getting an error refining with TaBr. Got tbr_exp.pdb from Hic-Up and
> prepared the cif with phenix.elbow.
> Try to do a refine with the pdb and cif and I get this error.
> Sorry: Conflicting scattering type symbols:
>  initial symbol: "TA" (from pdb element column)
>      new symbol: "T" (with residue name TBR)
>  atom:
>    "HETATM 1917 TA1  TBR B7131 .*.    TA  "

The idealized coordinates from HIC-UP (tbr_msd.pdb) have the element type
specified (which the experimental coordinates do not).  Would adding that
column help?  (You'd probably need to re-run elbow once you have the
corrected file, not jump directly to refinement.)

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