Unverified Commit 8d4d8636 authored by Wei Lu (陆威)'s avatar Wei Lu (陆威) Committed by GitHub
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add comment about the interpretation of ambiguous atoms

parent b5fa2ba3
...@@ -410,7 +410,9 @@ residue_atoms = { ...@@ -410,7 +410,9 @@ residue_atoms = {
# (The LDDT paper lists 7 amino acids as ambiguous, but the naming ambiguities # (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 # in LEU, VAL and ARG can be resolved by using the 3d constellations of
# the 'ambiguous' atoms and their neighbours) # 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 = { residue_atom_renaming_swaps = {
"ASP": {"OD1": "OD2"}, "ASP": {"OD1": "OD2"},
"GLU": {"OE1": "OE2"}, "GLU": {"OE1": "OE2"},
......
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