[phenixbb] error: Duplicate selections

Nathaniel Echols nechols at lbl.gov
Wed Nov 16 10:25:17 PST 2011

On Wed, Nov 16, 2011 at 8:45 AM, Sebastiano Pasqualato <
sebastiano.pasqualato at gmail.com> wrote:

> sorry guys, this might be a silly one, but I can't see where I'm making
> the mistake.
> Whenever I turn on TLS refinement, I get this error message.
> And, as you can see, the Log file doesn't tell me much more.
> I have generated the TLS groups wit the 'TLS groups selection' tool in
> phenix.

If you're using the automatic TLS partitioning, this must be a bug, because
you do indeed have overlapping selections in the final parameters:

      tls = "chain 'A' and (resseq 728:777)"
      tls = "chain 'A' and (resseq 777:794)"

When I changed the second 777 to 778, the problem went away.  The current
code finds a somewhat different set of TLS groups, so the problem may have
been fixed already.  In any case, I will modify the code that was producing
the error so it actually lists the offending selections and parameter name.

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