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(substructure))
m
[cid:image001.png@01D6F32C.BFA9B890]
The same code with rdkit 2020.09.3 doesn’t highlight the bond.
[cid:image002.png@01D6F32C.BFA9B890]
What should I correct to highlight the bonds ?
Many thanks
Stéphane BOURG, Ph. D.
Equipe Bioinformatique Structurale et Chémoinformatique (SBC)
Institut de Chimie Organique et Analytique (ICOA)
UMR CNRS-Université d’Orléans 7311
Pôle de Chimie
Rue de Chartres – BP 6759
45 067 Orléans Cedex 2
Tél : +33 (0)2 38 49 45 89
E-mail : stephane.bo...@cnrs.fr<mailto:stephane.bo...@cnrs.fr>
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