Extending Pyrosetta toturials for docking by adding constraints

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  • This topic has 1 reply, 2 voices, and was last updated 4 years ago by Anonymous.
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    • #3631
      Anonymous

        Hello,

        I followed pyrosetta tutorials for docking.  I did something like the following:


        scorefxn_low = create_score_function("interchain_cen")

        jd = PyJobDistributor("output", 100, scorefxn_low)
        while not jd.job_complete:
        cen_pose.assign(starting_cen_pose)
        dock_lowres.apply(cen_pose)
        jd.output_decoy(cen_pose)

         Then, I selected the candiddate with lowest score.

         

        Now, my question is how can I add my own constraints (I have some constraints between CB of residues of chains A and B). I know how to add constraints, but I don’t know which part of the above code (or code in toturial for docking) must be changeed in order to include my constraints.

      • #15634
        Anonymous

          You might want ti check out: https://www.rosettacommons.org/node/10951

           

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