openmolecules.org

 
Home » DataWarrior » Cheminformatics » Generate 2D atom coordinates gives overlapping atoms
Generate 2D atom coordinates gives overlapping atoms [message #1826] Tue, 31 January 2023 12:01 Go to previous message
mcmc
Messages: 18
Registered: April 2018
Junior Member
/forum/index.php?t=getfile&id=654&private=0

I have some bridged piperazines that get redrawn in a way that atoms are overlapping with the attached heterocycle upon generating 2D atom coords (which I do to superimpose the compounds in a set).
Hard to explain in words, but picture attached.
If these overlapping atoms could be avoided, that would be much appreciated.
 
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: Optional automatic protonation feature of Nitrogen in DW using EL
Next Topic: Link to oracle per row
Goto Forum:
  


Current Time: Tue Jun 18 17:23:19 CEST 2024

Total time taken to generate the page: 0.03927 seconds