[phenixbb] elbow

[Maia Cherney]

Dear Nigel,
I am sending you an ideal double-stranded B-DNA that I made in coot, but 
I was puzzled that it had C3*-exo puckers instead of C2*-endo. Probably 
they are equivalent. Anyway, if you can generate cif for me, I would 
appreciate it.
Maia

Nigel W Moriarty wrote:
> Maia
>
> 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.
>
> Nigel
>
> 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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>>
>>   
>
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