[phenixbb] elbow

chern chern at ualberta.ca
Fri Oct 24 09:27:00 PDT 2008

Hi Ralf,
thank you for your help. I think that I need 3 atoms of the sugars (C1*, O4* 
and C4*) to be in a plane. I don't know what the proper esd for the plane 
is. This will be enough for me. I want to see what C2*  and C3* would do.


----- Original Message ----- 
From: "Ralf W. Grosse-Kunstleve" <rwgk at cci.lbl.gov>
To: <phenixbb at phenix-online.org>
Sent: Friday, October 24, 2008 10:03 AM
Subject: Re: [phenixbb] elbow

>> 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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