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Remove C atoms from hydrogen bond calculation
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amorehead authored Aug 19, 2023
1 parent 8c821f0 commit 4b39a4b
Showing 1 changed file with 0 additions and 8 deletions.
8 changes: 0 additions & 8 deletions graphein/ml/datasets/pdb_data.py
Original file line number Diff line number Diff line change
Expand Up @@ -33,21 +33,13 @@
"N1",
"N9",
"N3",
"C2",
"C4",
"C5",
"C6",
]
SECONDARY_HYDROGEN_BOND_ATOMS_FOR_FILTERING: List[str] = [
"N",
"O",
"N1",
"N9",
"N3",
"C2",
"C4",
"C5",
"C6",
]


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