openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » Export SMARTS (DW structure sketcher is powerful for query definition, can the query be export as SMARTS?)

Sat, 22 March 2025 16:40

nbehrnd
Messages: 233
Registered: June 2019

Senior Member

Hello zhentg,

as a side note, Noel O'Boyle published a two-part «Smarts for Dummies» blog post including a link to interactively test bench "Smarter SMARTS". Though JavaScript (the eventual/current language of implementation) isn't Java used by DataWarrior, I speculate a similar «preview» were a nice complementary addition to DataWarrior.

Best regards,

Norwid

https://baoilleach.blogspot.com/2018/11/smarts-for-dummies.h tml
https://baoilleach.blogspot.com/2023/02/smarts-for-dummies-p art-ii.html
https://baoilleach.github.io/smartersmarts-js/

		Export SMARTS By: zhentg on Fri, 21 March 2025 04:30
		Re: Export SMARTS By: nbehrnd on Sat, 22 March 2025 16:40
		Re: Export SMARTS By: zhentg on Mon, 24 March 2025 16:02

Previous Topic:

Goto Forum:

] [

]

Current Time: Fri Apr 04 13:12:28 CEST 2025

Total time taken to generate the page: 0.00682 seconds