Getting interface residues?

Member Site › Forums › PyRosetta › PyRosetta – General › Getting interface residues?

Viewing 2 reply threads
  • Author
    Posts
    • April 17, 2014 at 4:58 am #1874
      Anonymous

        Hi everyone, I was looking through the source code of D090_Ala_scan.py, which contains code such as:

        p = Pose()
        pose_from_pdb(p, “aacap1_0290.pdb”)
        starting_p = Pose()

        #parameters
        dock_jump = 1
        interface_dist = 8.0 #angstroms
        DockingProtocol().setup_foldtree(p)

        scorefxn = create_score_function(‘standard’)
        scorefxn(p) #needed for proper Interface calculation

        interface = Interface(dock_jump)
        interface.distance(8.0)

        interface.calculate(p)

        However, when I try to run the script, it says that Interface is not defined. Does anyone know how to access the Interface class in PyRosetta?

        Thanks,

        Julius

      • April 17, 2014 at 2:34 pm #9978
        Anonymous

          Which version of PyRosetta are you using? With the latest version of PyRosetta, the following works fine:

          from rosetta import *
          from rosetta.protocols.scoring import Interface

          rosetta.init()

          p = Pose()
          pose_from_pdb(p, “input.pdb”)

          scorefxn = get_fa_scorefxn()
          scorefxn(p)

          interface = Interface(1)
          interface.distance(8.0)
          interface.calculate(p)

        • April 18, 2014 at 1:34 am #9992
          Anonymous

            Thanks rmoretti, this works great. I hadn’t known about the proper procedure to include the Interface class:

            from rosetta.protocols.scoring import Interface

        • Author
          Posts
        Viewing 2 reply threads
        • You must be logged in to reply to this topic.