openmolecules.org Forum: Cheminformatics

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Cheminformatics » SMARTS searching (SMARTS searching within DataWarrior)

Show: Today's Messages :: Polls :: Message Navigator

SMARTS searching [message #298]

Mon, 15 January 2018 09:16

amorrison
Messages: 38
Registered: March 2016

Member

Hi,
Is it possible to do a SMARTS search within DataWarrior? The use case here would to use a Macro to search for and annotate problematic structures, e.g. PAINS.
Thanks in advance,
Angus

Report message to a moderator

[Message index]

		SMARTS searching By: amorrison on Mon, 15 January 2018 09:16
		Re: SMARTS searching By: thomas on Tue, 16 January 2018 23:50
		Re: SMARTS searching By: amorrison on Wed, 17 January 2018 18:16
		Re: SMARTS searching By: abc123 on Wed, 31 October 2018 00:36

Previous Topic:	Capacity
Next Topic:	Fit quality calculation

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Apr 04 00:43:35 CEST 2025

Total time taken to generate the page: 0.00719 seconds