diff --git a/openfold/np/residue_constants.py b/openfold/np/residue_constants.py index 37c32e9f..dcb0c6ed 100644 --- a/openfold/np/residue_constants.py +++ b/openfold/np/residue_constants.py @@ -410,7 +410,9 @@ # (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities # in LEU, VAL and ARG can be resolved by using the 3d constellations of # the 'ambiguous' atoms and their neighbours) -# TODO: ^ interpret this +# Because for LEU, VAL and ARG, no ambiguous exist when the prediction output is chi angle instead of the location of individual atoms. +# For the rest, ASP and others, when you rotate the bond 180 degree, you get the same configuraiton due to symmetry. + residue_atom_renaming_swaps = { "ASP": {"OD1": "OD2"}, "GLU": {"OE1": "OE2"},