On Fri, Apr 23, 2010 at 1:31 PM, Francis E Reyes <span dir="ltr"><<a href="mailto:Francis.Reyes@colorado.edu">Francis.Reyes@colorado.edu</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
I'm getting an error refining with TaBr. Got tbr_exp.pdb from Hic-Up and prepared the cif with phenix.elbow.<br>
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Try to do a refine with the pdb and cif and I get this error.<br>
<br>
Sorry: Conflicting scattering type symbols:<br>
initial symbol: "TA" (from pdb element column)<br>
new symbol: "T" (with residue name TBR)<br>
atom:<br>
"HETATM 1917 TA1 TBR B7131 .*. TA "<br></blockquote><div><br></div><div>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.)</div>
<div><br></div><div>-Nat</div></div>