cdk / depict

SMILES Depiction Generator
GNU Lesser General Public License v2.1
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Feature request: alignment via SMARTS #35

Open baoilleach opened 2 years ago

baoilleach commented 2 years ago

Highlighting via SMARTS is possible, but having an extra checkbox to say "align" would be great. I've missed this multiple times. Not sure how much work this would be for you, but just flagging it up.

johnmay commented 2 years ago

Yes

So I think might already do it it’s just not a UI option - need to check. The think I would really want is CXSMARTS so you can orient the smarts if that makes sense.

johnmay commented 2 years ago

No it’s the Smallworld depictor that can do it - I will integrate it though!