Dear Quoc-Tuan,
GetSubstructMatches() tries to find isoprene at all positions where this
is possible.
You may want to test your SMARTS and its matching with structures at
this great place:
https://smartsview.zbh.uni-hamburg.de/
Maybe you would prefer to known whether borneol
follows the
Dear Quoc-Tuan,
On 04/05/2020 09:10, Greenpharma S.A.S. wrote:
Dear All,
Please could you help with the following problem (I could not find
answers in discussion list) ?
pattern='C~C~C(~C)~C'
smiles='O[C@H]1C[C@H]2C([C@@]1(C)CC2)(C)C'
pat = Chem.MolFromSmiles(pattern)
mol =
Dear All,
Please could you help with the following problem (I could not find answers in
discussion list) ?
pattern='C~C~C(~C)~C'
smiles='O[C@H]1C[C@H]2C([C@@]1(C)CC2)(C)C'
pat = Chem.MolFromSmiles(pattern)
mol = Chem.MolFromSmiles(smiles)
res = mol.GetSubstructMatches(pat, uniquify=True)
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