[phenixbb] How to resolve "Conflicting scattering type symbols" error
Andrew T. Torelli
att29 at cornell.edu
Mon Dec 20 14:46:45 PST 2010
To the PHENIXbb,
[Phenix version 1.6.4-486]
I'm using a .cif file for a custom iron-atom-containing prosthetic group that used to work with an older version of Phenix. Now I'm getting a "Conflicting scattering type symbols" error. Phenix.refine also halts with the following information:
Initial symbol: "F" (from pdb element column)
New symbol: "FE" (with residue name SF4)
I've changed the element column in my .pdb file from "F" to "FE", but that did not help and while there was a previous post about this error on the PHENIXbb concerning TaBr, I have not found a solution.
On a related note, are there now more options for explicitly defining the oxidation state of metal atoms in custom ligand/prosthetic groups (i.e. so the correct scattering factors are used)?
Thanks for your help,
More information about the phenixbb