On Fri, Apr 02, 2004, tim wrote:
>
> How does Sander calculate the alignment tensor for it's RDCs
> calculations? I ask because it seems to be somewhat different from the
> way PALES does...
>
The two calculations are completely different, in both input and output.
PALES estimates the alignment tensor from the structure, based on a physical
model for how the alignment is taking place. It does not need any RDC's
as input.
Sander fits the alignment tensor to the observed RDC's, by minimizing a
chi-square function (or similar error function). It does not require any
physical model for what is causing the alignment in the first place.
....hope this helps....dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Fri Apr 02 2004 - 18:53:00 PST
