openmolecules.org Forum: Functionality » Remove duplicate molecules

Home » DataWarrior » Functionality » Remove duplicate molecules

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

Remove duplicate molecules [message #645]

Sat, 05 October 2019 03:08

sbembenek18
Messages: 62
Registered: April 2019

Member

is it possible to remove duplicate molecules from a data set and just leave a single occurrence?

Report message to a moderator

Re: Remove duplicate molecules [message #650 is a reply to message #645]

Sun, 06 October 2019 23:31

nbehrnd
Messages: 233
Registered: June 2019

Senior Member

Assuming you put the structures in one column, duplicates may be removed by selecting
the column of interest, followed by chosing Data -> Merge Equivalent Rows.

Norwid

[Updated on: Sun, 06 October 2019 23:33]

Report message to a moderator

Re: Remove duplicate molecules [message #662 is a reply to message #650]

Fri, 11 October 2019 18:42

sbembenek18
Messages: 62
Registered: April 2019

Member

thanks!

Report message to a moderator

Previous Topic:	superpose conformers of different molecules in conformer explorer
Next Topic:	New feature request: align structures

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue Jun 03 09:44:03 CEST 2025

Total time taken to generate the page: 0.03023 seconds