Yes, I should have said - I'm using the latest release on Windows.
On 22/04/2008, Adrian Schreyer <[email protected]> wrote:
> Works for me, you probably have to update to the latest svn version.
>
> In [8]: import Chem
>
> In [9]: print Chem.MolToMolBlock(Chem.MolFromSmiles("CCCC"))
>
> RDKit
>
> 4 3 0 0 0 0 0 0 0 0999 V2000
> 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
> 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
> 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
> 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
> 1 2 1 0
> 2 3 1 0
> 3 4 1 0
> M END
>
>
> On Tue, Apr 22, 2008 at 1:25 PM, Noel O'Boyle <[email protected]> wrote:
> > I've done it again :-/
> >
> > >>> print Chem.MolToMolBlock(Chem.MolFromSmiles("CCCC"))
> > Traceback (most recent call last):
> > File "<stdin>", line 1, in <module>
> > RuntimeError: Pre-condition Violation
> >
> > Noel
> >
>
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