openmolecules.org

 
Home » DataWarrior » Functionality » python usage
python usage [message #2311] Sat, 05 October 2024 00:48 Go to next message
sukrit2024 is currently offline  sukrit2024
Messages: 1
Registered: October 2024
Junior Member
I am new to data warrior. Can I use the functionality of data warrior from python? I want to use a jupyter notebook and use data warrior.

Report message to a moderator

Re: python usage [message #2325 is a reply to message #2311] Sat, 26 October 2024 21:44 Go to previous message
thomas is currently offline  thomas
Messages: 731
Registered: June 2014
Senior Member
wrapping openchemlib, the chemistry engine behind DataWarrior, to be used with python should be possible, but somebody would have to do that.

Report message to a moderator

Previous Topic: "Don't group, connect all" Feature in DataWarrior
Next Topic: polycyclic molecule displaying issue
Goto Forum:
  

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

Current Time: Thu Jun 05 08:55:08 CEST 2025

Total time taken to generate the page: 0.18736 seconds
openmolecules.org