Re: [modeller_usage] change restraints relative weights

[Modeller Caretaker <modeller-care@ucsf.edu>]

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
--
modeller-care@ucsf.edu             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage