how to use constrains in PyRosetta?

[Anonymous]

Hi all,

I know this has been asked in some ways before, but never conclusively answered (at least for me :
I do a design approach using the PackRotamersMover(). Now I want to have him use a constrain (e.g. AtomPair).
They way I think it should work:
1. tell the SF about the constrain: I tried “SF.set_weight(cst_weight, 2)” … that doesn´t work because he does not know “cst_weight” … so what is the correct description for the constraints in set.weights?
2. somehow load my constraint file as an object that I add in step 3 …. I have no clue how to do that.
3. add the constraints to the pose with: “pose.add_constraint(xyz)”
4. use the packRotamersMover on my pose

Or is there any documentation on constraints with pyrosetta?

Thanks a lot
André

@rmoretti, thanks a lot for your answer on the minimization… I will try the multiple pack-min-cycles

[Author]

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