Oliver Clarke wrote:
That works very well, thanks Judit, and thanks to Paul for the initial script. Is there a way to give refine-zone a list of residues rather than a range?
No. There will not be.
refine-residues doesn't seem to adopt the restraints I set in refine/regularize control (e.g. ramachandran, secondary structure restraints), but refine-zone does, and I'd quite like to use the ramachandran restraints, as I find they come in very handy at low resolution.
I need to check then that refine-residues is handling the extra restraints settings correctly.
Or alternatively, if there's a way to set ramachandran restraints for refine-residues via the scripting interface,
It should "just work" - I will try to make it so. Paul.
