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OpenDAS
OpenFold
Commits
8d4d8636
Unverified
Commit
8d4d8636
authored
May 05, 2023
by
Wei Lu (陆威)
Committed by
GitHub
May 05, 2023
Browse files
add comment about the interpretation of ambiguous atoms
parent
b5fa2ba3
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openfold/np/residue_constants.py
openfold/np/residue_constants.py
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openfold/np/residue_constants.py
View file @
8d4d8636
...
@@ -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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