Sorry, I gave a wrong subject name in my previous e-mails. Should've been
sugar puckering in DNA.
I am wondering why the default .cif file for DNA does not include all
information about sugar puckers.
I do not have some fancy nucleotides. They are regular.
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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