Calculate TM-score

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    • #3731
      Anonymous

        Hello,

         

        How to calculate the TM-score between two structures (in pdb format) in Pyrosetta?

      • #15822
        Anonymous

          Load both PDBs into separate poses. Then there’s a number of utility functions in rosetta.core.scoring which will calculate various GDT metrics for you.

          CA_gdttm(pose,pose) is probably the easiest, and the one which likely corresponds to the TM-score you’re looking for. But depending on what you’re looking for (and if you want to manually specify the residue mapping, instead of assuming it’s 1:1), there’s a large number of other such calculation functions. See the API documentation (https://graylab.jhu.edu/PyRosetta.documentation/pyrosetta.rosetta.core.scoring.html) for the full list.

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