I’m interested in performing some docking in which the z-coordinates of my molecules are restrained. The documentation shows how to add these restraints to the run.cns file (HADDOCK2.4 manual - run.cns parameters – Bonvin Lab), but I’m at a bit of a loss when trying to make the equivalent modifications in the job_params.json file. Specifying the zresmax, zresmin, zres_on, and numzres parameters is straightforward, but how do I add in the segments to be restrained? Thanks for your help!
This is a rather unsupported feature on the server.
It is indeed defined in
run.cns but never properly benchmarked, which is why it is not yet available on the server.