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. -- Coot verendus est
