On Jan 11, 2007, at 10:05 AM, Marc SCHILTZ wrote:
I think this is clear to all of us. But just as as we should
refrain from basing our models (or certain parts of them)
exclusively on diffraction data, we should also abstain from basing
them (or certain parts of them) exclusively on information about
what we expect the structure to look like. I believe that we should
be conservative and only include features in our models that are
both chemically sensible (i.e. reflect our prior knowledge about
protein structures) AND supported by the diffraction data.
As is obvious from the discussion, there are those who believe that
coming up with a useful description for disordered side chain atoms
is fully compatible with this notion, because the diffraction data
reveal where C-alpha and C-beta are located, and those who believe
that this is not enough information.
Looks like there won't be a consensus.
Best - MM
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Mischa Machius, PhD
Associate Professor
UT Southwestern Medical Center at Dallas
5323 Harry Hines Blvd.; ND10.214A
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