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Calculate TM-score

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Calculate TM-score



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

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Fri, 2021-03-26 16:50

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 ( for the full list.

Mon, 2021-03-29 06:53