<div dir="ltr">On Tue, Aug 26, 2014 at 2:51 PM, Schubert, Carsten [JRDUS] <span dir="ltr"><<a href="mailto:CSCHUBER@its.jnj.com" target="_blank">CSCHUBER@its.jnj.com</a>></span> wrote:<br><div class="gmail_extra"><div class="gmail_quote">
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<p>Phenix (1.9-1692) seemingly happily accepted the input and proceeded with refinement and validation. After upgrading my coot installation to the latest build the error was flagged. I think this sort of mistake should have at least been
flagged in the validation stage or is this out of scope for phenix?</p></div></div></blockquote><div><br></div><div>As Dale notes, this is technically allowed by the PDB format - however, we do already look out for it:</div>
<div><br></div><div>nat@laptop> phenix.pdb.hierarchy carsten.pdb</div><div>. . .</div><div><div> ### WARNING: consecutive residue_groups with same resid ###</div><div> number of consecutive residue groups with same resid: 1</div>
<div> residue group:</div><div> "HETATM 9327 CL CL S 3 .*. Cl1-"</div><div> next residue group:</div><div> "HETATM 9328 K K S 3 .*. K1+"</div></div><div><br></div><div>
We could certainly present this warning elsewhere - the question is where would it be most likely to be noticed?</div><div><br></div><div>-Nat</div></div></div></div>