obabel -:CC(=O)Cl -O tmp.png will convert a SMILES to a PNG containing a 2D
depiction.
Also see the manual for various options.
- Noel
On 6 March 2012 20:12, Andreas Topp <andreas.t...@osir.de> wrote:
> Hi all,****
>
> ** **
>
> after getting “OpenBabel” running for the first time (generation of exact
> masses from smiles and sdf) I wonder if there is any chance to convert
> smiles to a picture. Why this? I want to add the smiles into a SQLExpress
> database and it would be fine to get the structure as a picture when
> displaying in the GUI. This would be funny and would help me.****
>
> ** **
>
> Best regards****
>
> Andreas ****
>
>
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