On Tue, Jul 11, 2017 at 6:53 PM, Chicago Ji <chicago...@gmail.com> wrote:
> Thanks a lot for your code.
>
> I met another error. I don't know whether it's Normal.
>
> I have a correct SMILES, and read it through MolFromSmarts:
>
> --------------------------------------------------------
> sa = 'CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1'
> Chem.MolFromSmarts(sa)
> --------------------------------------------------------
>
>
> Is there something wrong with my input?
>
Looks fine to me:
In [9]: sa = 'CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1'
In [10]: m = Chem.MolFromSmarts(sa)
In [11]: m.GetNumAtoms()
Out[11]: 35
What error do you see?
-greg
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