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alphafold3_pytorch/life.py

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@@ -14,7 +14,6 @@ def is_unique(arr):
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return len(arr) == len({*arr})
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# human amino acids
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# reordered so [N][...][C][OH] - [OH] is removed for all peptides except last
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# NOTE: template SMILES were derived via `print([Chem.MolToSmiles(resname_to_mol[resname], canonical=False) for resname in resname_to_mol])`
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# to guarantee the order (and quantity) of atoms in the SMILES string perfectly matches the atoms in the residue template structure
@@ -191,7 +190,6 @@ def is_unique(arr):
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)
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# nucleotides
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# reordered from 5' to 3', so [O][P][...][C(3')][OH] - hydroxyl group removed when chaining into a nucleic acid chain
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DNA_NUCLEOTIDES = dict(
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A=dict(

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