Never mind, I just did something really silly!
Thanks
Sabrina
*Syeda Sabrina*
*Graduate Assistant*
*25, Fenske Laboratory*
*Department of Chemical Engineering, Penn State University*
*University Park, PA*
*
*
On Wed, May 15, 2013 at 4:54 PM, Syeda Sabrina <[email protected]> wrote:
> Hi Greg,
>
> For the following molecule when I draw it shows a cyclic structure.
>
> >>testm = Chem.MolFromSmarts('[N:1][C@@H:2]([OH1:3])\[CH1:4]=[CH1:5]/[C@H
> :6]([N:8])[OH1:7]')
>
> But when I check the atoms/bonds for ring information it returns False.
> For example,
>
> >>for a in testm.GetAtoms():
> ...: print a.IsInRing()
> ...:
> Although it returns false but by drawing the molecule its clear that the
> molecule is cyclic. Is it something related to molecule generated from
> SMARTS? Is there any way to get proper ring information for molecule
> generated from SMARTS?
>
>
> Thanks,
> *Syeda Sabrina*
> *Graduate Assistant*
> *25, Fenske Laboratory*
> *Department of Chemical Engineering, Penn State University*
> *University Park, PA*
> *
> *
>
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