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Export SMARTS [message #2402]

Fri, 21 March 2025 04:30

zhentg
Messages: 31
Registered: March 2020

Member

DW structure sketcher is powerful for query definition, can the query be export as SMARTS?

Datawarrior is a good tool

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Re: Export SMARTS [message #2403 is a reply to message #2402]

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/

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Re: Export SMARTS [message #2406 is a reply to message #2403]

Mon, 24 March 2025 16:02

zhentg
Messages: 31
Registered: March 2020

Member

Hi Norwid, thanks for providing the links, they are helpful.

https://smarts.plus/smartsview is a good tool to visualize SMARTS, but it does not provide examples that my SMARTS will match.

Datawarrior is a good tool

[Updated on: Mon, 24 March 2025 16:06]

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