Addition of HRF_GBM energy method - #750
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data-derived predicted neighbor counts to rescore ab initio models
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This PR adds an additional mass spectrometry-guided energy method (HRF_GBM) to the score function. The associated manuscript was published last year, but the corresponding code somehow never made it into the main repository (oops).
The changes are relatively small and primarily add support for reading a user-supplied data file and calculating the new score term from those data.
A new unit test has also been added that calculates the score using an example PDB and input data file. All unit tests and standard integration tests pass locally. The only changes to existing integration test output are the expected additional lines associated with the new energy method option. Thanks!