Feature request: MOL or single-molecule SDF as output?

cdk / depict

SMILES Depiction Generator

GNU Lesser General Public License v2.1

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Feature request: MOL or single-molecule SDF as output? #85

Open baoilleach opened 3 months ago

baoilleach commented 3 months ago

Would be nice to be able to use webservice for SMI->MOL.

johnmay commented 3 months ago

Isn’t this what the obabel command line is for? 😃

baoilleach commented 3 months ago

We're busy with WLN. Ask Mikey.

nbehrnd commented 3 months ago

Tangential: a conceptually similar structure2structure implementation relying on openbabel is provided by cheminfo.org

https://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html

There is no note which version of obabel is used (e.g., export to .png dysfunctional, to .svg missing), nor about an address to reach out for the maintainer(s). But contrasting to the public test pages of ChemDraw and Marvin, the site is capable to convert batches of input.