For a (very) low resolution RNA/protein complex in which we had high(er)
resolution structures for both components, I used the optimal hydrogen
bonds from these structures (WHATIF output) as restraints. I made a
couple perl scripts to take this output and generated either CNS or
REFMAC restraints.
http://hood.icmb.utexas.edu/~paul
bottom of the page.
Best,
--paul
Sean Johnson wrote:
I am trying to build and refine a model into 3.6 angstrom Se-met
phased maps. What is the best way to define secondary structure
restraints for refinement? (hydrogen bonds? backbone torsion angles?)
Are there any tools available to help me define restraints for a
specified region, or do I have to define each restraint one at a time
(which strikes me as a very tedious exercise).
Any other thoughts on best practices for low-resolution model building
and refinement would also be appreciated.
Thanks,
Sean
