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Add mhc epitope constraints from the provided file to the selected region or whole pose.

References and author information for the AddMHCEpitopeConstraintMover mover:

AddMHCEpitopeConstraintMover Mover's citation(s): Yachnin BJ, Mulligan VK, Khare SD, and Bailey-Kellogg C. (2021). MHCEpitopeEnergy, a flexible Rosetta-based biotherapeutic deimmunization platform. J Chem Inf Model 61(5):2368-2382. doi: 10.1021/acs.jcim.1c00056.

<AddMHCEpitopeConstraintMover name="(&string;)" selector="(&string;)"
        filename="(&string;)" weight="(1.0 &real;)" />
  • selector: If provided, the mhc epitope score of the selected region is constrained; otherwise the global score is constrained. The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.
  • filename: (REQUIRED) Name of mhc epitope constraint file. (These files have a ".mhc" suffix).
  • weight: Adjust the mhc_epitope weight for the epitope predictor set up by this constraint mover ONLY. The weight will be the mhc_epitope weight of the scorefunction * this weight.