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Hello John--
>
> Is it possible to implement an ambiquous dihedral angle restraint?
> It's often the case that prediction programs such as TALOS give two
> clusters of phi/psi solutions and I was wondering whether it's
> possible to construct an ambiguous dihedral statement with two
> possible restraint values.
dihedral restraints as implemented by the RESTraints DIHEdral term have
only a single minimum. See
http://nmr.cit.nih.gov/xplor-nih/doc/current/xplor/node180.html#restraints-dihedral
It might be possible to wrangle the dihedral potential term to your
purposes
http://nmr.cit.nih.gov/xplor-nih/doc/current/xplor/node116.html#eq:dihedral
but a new energy term would be a better option.
For now, you need to use a single, large range which covers all of the
clusters of values.
best regards--
Charles
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