openmolecules.org

 
Home » DataWarrior » Functionality » Comparing Structure Files (proble to use the "Find similar compound in other file" tool)
Re: Comparing Structure Files [message #1473 is a reply to message #1471] Mon, 17 January 2022 14:39 Go to previous messageGo to previous message
biolive31!! is currently offline  biolive31!!
Messages: 5
Registered: January 2022
Junior Member
Dear Norwid,
Thank you for your help.
I tired to compare the set a and seb . I found 16 similar compounds.

My first conclusion is that DW I installed work well. Smile

Now I wondering if my files are, in someway, unanalysable by similarity tool in DW.
These files are sdf files with structures.

I tried an other tool to compare molecule of my files (chemdiff) and it wasn't able to identify similar structure like DW.
Do you know what is the file type required to perform a similarity analysis ?

thank you for your help.

Olivier

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: Video tutorial on using Datawarrior to undertake QSAR predictions
Next Topic: search for conformers, empty column «minimization error»
Goto Forum:
  

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

Current Time: Sat May 24 06:39:19 CEST 2025

Total time taken to generate the page: 0.04285 seconds
openmolecules.org