Dear Ian,
print(Chem.MolToMolBlock(ps[0][0]))
produces:
RDKit 2D
6 5 0 0 0 0 0 0 0 0999 V2000
6.49520.75000. O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0. C 0 0 0 0 0 0 0 0 0 0 0 0
3.89710.75000. C 0 0
Hi all, sorry I realise you're probably all busy down in Chemistry with the
meeting to give a quick answer to a problem I'm having with
GetSubstructMatch. Basically I need to get the mapping between the
reactants and the products in the form of the atom indices in the product
Smiles in the order o
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