openmolecules.org

 
Home » DataWarrior » Functionality » Remove duplicate molecules
Remove duplicate molecules [message #645] Sat, 05 October 2019 03:08 Go to next message
sbembenek18 is currently offline  sbembenek18
Messages: 60
Registered: April 2019
Member
is it possible to remove duplicate molecules from a data set and just leave a single occurrence?
Re: Remove duplicate molecules [message #650 is a reply to message #645] Sun, 06 October 2019 23:31 Go to previous messageGo to next message
nbehrnd is currently offline  nbehrnd
Messages: 224
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 Go to previous message
sbembenek18 is currently offline  sbembenek18
Messages: 60
Registered: April 2019
Member
thanks!
Previous Topic: superpose conformers of different molecules in conformer explorer
Next Topic: New feature request: align structures
Goto Forum:
  


Current Time: Thu Nov 21 19:08:22 CET 2024

Total time taken to generate the page: 0.03193 seconds