Yes, dipolar coupling refinement has been implemented and will be released
with AMBER 6. The details of how to use these restraints should
(hopefully) be clear in the manual, and a paper reporting some details
of the calculation as well as our results of the refinement (V. Tsui, L.
Zhu, T.H.Huang, P.E.Wright & D.A. Case, "Assessment of zinc finger
orientations by residual dipolar coupling constants") is in press in the
J. Biomol. NMR.
vickie
The Scripps Research Institute
10550 North Torrey Pines Road, TPC-15
La Jolla, CA 92037
TEL: (858)784-9788
FAX: (858)784-8896
On Wed, 3 Nov 1999, Richard Stefl wrote:
> Hi,
>
> Are there any news about implementation of dipolar coupling
> restraints into the sander?
>
> Thanx
>
> Richard Stefl
> --
> * * * * * * * * * * * * * * * * * * * * * * * * *
> Laboratory of Biomolecular Structure and Dynamics
> Masaryk University, Kotlarska 2, CZ-611 37 Brno
> The Czech Republic
> e-mail: stefl_at_chemi.muni.cz
> FAX: +420-5-41129 506
>
Received on Wed Nov 03 1999 - 09:48:37 PST
