On 5/3/13 6:39 AM, Pietro Sormanni wrote: > I am sorry for the naif question, but is there a way to change the > relative importance of restraints?
Sure, you can set env.schedule_scale before you create your automodel object: http://salilab.org/modeller/9.11/manual/node19.html
You can adjust the weights of the physical restraint types corresponding to the strand and sheet restraints (phi_psi_dihedral and h_bond, respectively) there.
> In case you wish to delve further into this I attach at the end the > piece of code that I use to add the restraints:
This is a very odd way to add restraints (any time you find yourself calling a Python function starting with a single underscore, you are probably doing the wrong thing!) The usual way is to subclass and override the special_restraints() method: http://salilab.org/modeller/9.11/manual/node27.html
Ben Webb, Modeller Caretaker