[Xplor-nih] RNA refinement

[Charles at Schwieters.org]

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Hello Blanton--

> I would like to refine an RNA molecule using only NOE and scalar
> coupling data.  I have searched the egin directory, but the only
> stripped down refinement protocol I've found is for protG.  Does
> anyone know of a similar protocol that can be used for RNA?  I am new
> to xplor-nih having used CNS in the past.  In CNS, there were
> significantly less refinement protocols to select from.  Any advice
> that can be given will be greatly appreciated.

You might start with rna_refi/rna_database_refine.inp and strip out the
RDC stuff. You will probably need the database potentials to get
far. Another approach would be to start from dna_refi/refine_full.py,
(again removing rdc stuff).

best regards--
Charles
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