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Re: [modeller_usage] change restraints relative weights



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
--
             http://www.salilab.org/modeller/
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