openmolecules.org

 
Home » DataWarrior » Functionality » Comparing Structure Files (proble to use the "Find similar compound in other file" tool)
Re: Comparing Structure Files [message #1479 is a reply to message #1473] Mon, 24 January 2022 13:36 Go to previous messageGo to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
Dear Olivier,

by Monday, 2022-01-24, Thomas identified the cause for DW's problems to deploy the criterion «Structure[Exact]» in the similarity analysis of two structure files. In the development version, the code is corrected accordingly.

Norwid
 
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:
  


Current Time: Fri Nov 22 11:46:05 CET 2024

Total time taken to generate the page: 0.04025 seconds