Hi Stéphane,
I can confirm the change in behavior. I don't think that this was
intendentional, so I'll take a look at fixing it.
-greg
On Mon, Jan 25, 2021 at 3:17 PM BOURG Stephane
wrote:
> Dear all,
>
>
>
> Within rdkit '2020.03.6' the following code in a jupyter notebook goves
> the first
Dear Stéphane,
I am not sure if there's a direct way to achieve bonds highlighting. You
can highlight them manually by:
mol = Chem.MolFromSmiles('c1cc(C(=O)O)c(OC(=O)C)cc1')
patt = Chem.MolFromSmarts('C(=O)O')
hit_ats = list(mol.GetSubstructMatch(patt))
hit_bonds = []
for bond in patt.GetBonds():
Dear all,
Within rdkit '2020.03.6' the following code in a jupyter notebook goves the
first image below :
from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole
m = Chem.MolFromSmiles('c1cc(C(=O)O)c(OC(=O)C)cc1')
substructure = Chem.MolFromSmarts('C(=O)O')
print(m.GetSubstructMatches
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