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 wrote:
> Hi all,
>
> ** **
>
> after getting “OpenBabel” running for the first time (generation of exact
> masses from
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
