openmolecules.org

 
Home » DataWarrior » Functionality » question about 'analyse similarity/activity cliffs' function (question about 'analyse similarity/activity cliffs' function)
Re: question about 'analyse similarity/activity cliffs' function [message #639 is a reply to message #595] Mon, 30 September 2019 14:18 Go to previous messageGo to previous message
pmallard is currently offline  pmallard
Messages: 2
Registered: September 2019
Junior Member
Dear Thomas,

I have some issue with the structure similarity filter.
I have a large set of structures (>10M) which I imnported from csv and FragFp has been automatically calculated.
Most of the structures display well. I am able to a "contain" search and look for molecules containing the structure I just drawed.
However the "is similar to [FragFp]" function doesn not work.
No error message is returned however the search is not working and the filter is automatically switched to the "disable filter" mode when I run it ....

Any clue ?
Many thanks for this excellent software !


PM

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: New feature request: Merging files with duplicate keys
Next Topic: Creat macro file and run, but cant open the created dwar file
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Sat Apr 19 18:58:02 CEST 2025

Total time taken to generate the page: 0.03285 seconds
openmolecules.org