[Molvis-list] exporting _good_ h-bonds (was: export Chime h-bonds)

[Timothy Driscoll]

On Jan 3, 2006, at 8:53 a, Herbert J. Bernstein wrote:

> The logic used by RasMol for H-bonds is as follows.  I would be happy
> to add alternate approaches, but this one will remain the default
> so as not to mess up existing scripts:
>
> Quoting from the Sayle-Martz RasMol FAQ
>
> "For protein, regions of alpha helix or beta-sheet are identified by
> application of the algorithm of Kabsch and Sander. Hydrogen bonds are
> assigned when a distance-dependent electrostatic energy of
> interaction between donors and acceptors falls below a threshold
> value. No reference is made to phi or psi angles.
>

why doesn't RasMol use dihedral angles in hbond calculations?

tim
-- 
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