Is there some way to do the Refine/Improve Ramachandran plot not on the whole molecule? The underlying command stepped-refine-protein-for-rama doesn't seem to have any other options but the imol, so obviously no luck.
I also tried "set-refine-ramachandran-angles 1" which, afaiu, should turn Ramachandran restraints on, but I don't see any difference (in fact, when I refine a zone the residues move away from allowed angles). I thought that this could be combined with stepped-refine-protein, but that one would also tackle the whole thing, and one cannot narrow its action to a zone. I could, of course, delete the elements I don't want refined and later reinsert them. Another workaround (maybe) is to fix the atoms I don't want to move (in which case it'd be totally awesome if one could fix all the atoms in a zone at once - is this possible?). So, perhaps a future version may allow for all of these operations (e.g fit-protein, stepped-refine-protein, stepped-refine-protein-for-rama) tp be applied to a zone? Please? Cheers, Ed. PS. Well, I was told long time ago that restraining "Ramachandran angles" is a BAD idea because they should only be used for validation. But this is 3A data. -- Coot verendus est
