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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: 25
Registered: March 2020
Junior 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 375 times)
  • Attachment: cHex.dwar
    (Size: 3.09KB, Downloaded 353 times)


Datawarrior is a good tool

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