openmolecules.org

 
Home » DataWarrior » Bug Reports » 3D coordinates lost during "Paste Special>Paste with header row"
3D coordinates lost during "Paste Special>Paste with header row" [message #810] Tue, 10 March 2020 16:20 Go to previous message
zhentg is currently offline  zhentg
Messages: 32
Registered: March 2020
Member
Aim: I want to save a subset into a new SDF file with 3D coordinates

Here is my workflow:
1. Load an SDF containing molecules with 3D coordinate.
2. Select some rows, then "Paste Special>Paste With Header Row", and a new DataWarrior file is created

In the new DataWarrior window, 3D coordinates is missing.

Please check the attached screenshot and example DataWarrior file.

Thanks.
  • Attachment: 图片1.png
    (Size: 290.27KB, Downloaded 422 times)
  • Attachment: cHex.dwar
    (Size: 3.09KB, Downloaded 394 times)


Datawarrior is a good tool

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Previous Topic: hide columns, hiding ALL columns with new version
Next Topic: 3D coordinates of hydrogen atom lost for structures containing positive charged nitrogen
Goto Forum:
  

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

Current Time: Thu Apr 10 17:22:56 CEST 2025

Total time taken to generate the page: 0.03154 seconds
openmolecules.org