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.
Maia
----- Original Message -----
From: "Ralf W. Grosse-Kunstleve"
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?
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