[phenixbb] Conflicting scattering type symbols: refine with TaBr
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
> 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)
> "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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