Nanny7 commited on
Commit
9d51fe7
·
1 Parent(s): b18cfa0

Remove unsupported RDKit param

Browse files
Files changed (1) hide show
  1. app.py +0 -1
app.py CHANGED
@@ -226,7 +226,6 @@ def _embed_smiles_in_3d(smiles: str, seed: int):
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  mole = Chem.AddHs(_mol_from_smiles(smiles))
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  params = AllChem.ETKDGv3()
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  params.randomSeed = seed + 1
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- params.maxAttempts = 20
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  status = AllChem.EmbedMolecule(mole, params)
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  if status == -1:
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  params.useRandomCoords = True
 
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  mole = Chem.AddHs(_mol_from_smiles(smiles))
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  params = AllChem.ETKDGv3()
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  params.randomSeed = seed + 1
 
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  status = AllChem.EmbedMolecule(mole, params)
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  if status == -1:
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  params.useRandomCoords = True