[phenixbb] elbow

Nigel W Moriarty NWMoriarty at lbl.gov
Fri Oct 24 09:24:56 PDT 2008


If you have an example geometry of the C2'-endo eLBOW can generate the 
restraints.  I'm happy to generate them for you if you have one.  I'm 
provide a detailed procedure to list after.


On 10/24/08 9:03 AM, Ralf W. Grosse-Kunstleve wrote:
>> The answer is yes but there may be better options.  Ralf is the best
>> person to answer this question but one option is to start with the .cif
>> file in the monomer library.
> This is more a chemistry question than a formatting question.
> Since I'm not deeply familiar with the DNA chemistry, I was pointing
> Maia to phenixbb in hopes that someone may already have figured out
> the list of torsion angle restraints to fix sugar puckers.
> What Maia really wants is:
>> could you please send me a specific example of how to modify a cif file
>> to specify the sugar puckers in DNA (I want them C2'-endo).
> Has anyone on this list done this already?
> Ralf
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Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709
Fax   : 510-486-5909
Email : NWMoriarty at LBL.gov
Web   : CCI.LBL.gov

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