[buster-discuss] Funky RNA pucker's... better restraints for nucleic acids

Oliver Smart osmart at globalphasing.com
Thu Oct 20 13:31:51 CEST 2011

On Fri Feb 25 2011, Francis E Reyes wrote:

> Anyone, offhand, have the proper dihedral (?) angle specifications (for
> gelly)  to restrain RNA sugar pucker's? Molprobity is complaining about 
> mine.. The data is about 3.5A.  I have distance restraints for W-C bp's 
> (you'd think that be enough!).

For those refining nucleic acids, Please have a look at the BUSTER wiki page:


This provides both an improved nuclgeo.dat and a jiffy that producess
utility torsion restraints to encourage ribose rings to either
a C3'-endo or a C2'-endo canonical conformation.

If anyone has a good jiffy to generate utility restraints for nucleic acid
hydrogen bond type distance restraints then please could we have a copy
to put on the BUSTER wiki?

Regards to all,


| Dr Oliver Smart                             |
| Global Phasing Ltd., Cambridge UK           |
| http://www.globalphasing.com/people/osmart/ |

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