openmolecules.org

 
Home » DataWarrior » Functionality » Export Superimposed structures
Export Superimposed structures [message #1593] Thu, 14 April 2022 05:11 Go to previous message
sbembenek18 is currently offline  sbembenek18
Messages: 58
Registered: April 2019
Member
I have aligned my molecules to a 3D reference using 'Superimpose Conformers'. Can I now write an SDF file with these new aligned (updated) coords for each molecule rather than the original 3D coords?
 
Read Message
Read Message
Previous Topic: defining molecule clusters after similarity analysis
Next Topic: macro buildEvolutionaryLibrary from a mac terminal
Goto Forum:
  


Current Time: Sat May 04 01:47:48 CEST 2024

Total time taken to generate the page: 0.05051 seconds