Sorry, just quickly: load user-define-restraints (scm or py)
there are several function to make own restraints (incl DNA/RNA as well as some simple, experimental ProSMART interface - which is the way to go for secondary structure restraints, I believe). B > Is there some non-convoluted way to force Watson-Crick hydrogen bonds > during real space refinement? And a related question - is there some > way to define secondary structure (helices/sheets) for the whole > molecule (maybe based on header) and then enforce it? > > One way I see right now is to supply LINK records (which I assume coot > will honor but I may be wrong) for every hydrogen bond that defines > secondary structure. It would also probably require adjusting parameter > files to provide distance restraints? That would take some scripting, > which is no big deal. But I don't want to invent something that coot > may already have a tool for. > > This stuff may be useful at low resolution, which is pretty much what > one generally gets with protein-DNA complexes. > > Cheers, > > Ed. > -- *************************************************** Dr. Bernhard Lohkamp Assistant Professor Div. Molecular Structural Biology Dept. of Medical Biochemistry and Biophysics (MBB) Karolinska Institutet S-17177 Stockholm Sweden phone: (+46) 08-52487651 fax: (+46) 08-327626 email: bernhard.lohk...@ki.se
