openmolecules.org Forum: Functionality » Question about R-group occurences estimation

Home » DataWarrior » Functionality » Question about R-group occurences estimation

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

Re: Question about R-group occurences estimation [message #775 is a reply to message #773]

Wed, 12 February 2020 19:40

thomas
Messages: 715
Registered: June 2014

Senior Member

This is now built in: "Chemistry->From Chemical Structure->Add Substructure Count..."
This opens a dialog to
-select the structure column
-to draw a fragment with optional query features
-and to define whether counted fragments may overlap on some atoms

It is in the current beta and will be in the next official version that is due in a few days

Report message to a moderator

[Message index]

		Question about R-group occurences estimation By: jvolvr on Tue, 21 January 2020 16:02
		Re: Question about R-group occurences estimation By: thomas on Tue, 21 January 2020 21:14
		Re: Question about R-group occurences estimation By: nbehrnd on Tue, 11 February 2020 14:53
		Re: Question about R-group occurences estimation By: thomas on Wed, 12 February 2020 19:40

Previous Topic:	table view missing
Next Topic:	Postgresql connection

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Nov 22 12:26:11 CET 2024

Total time taken to generate the page: 0.03986 seconds