Hi,

I have some molecule objects in a list 'out'.
When I try to draw the molecules with

```
Draw.MolsToImage(out,subImgSize=(300,300))
ValueError: Sanitization error: Can't kekulize mol

```

However, when I transform the objects to smiles and back to molecule
objects,
everything is OK.

```
res = [ Chem.MolFromSmiles(Chem.MolToSmiles(molecule)) for molecule in out ]
Draw.MolsToImage(res)
```

The molecules originally came out of a reaction
`rxn.RunReactants((mol,))`

I guess, the objects contain some information from the reactants.
Is there something I can do to the molecule objects to reset them?

regards
Soren
------------------------------------------------------------------------------
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

Reply via email to