openmolecules.org

 
Home » DataWarrior » Bug Reports » Pentavalent carbonyl issue (urea formation?) (Enumerating combinatorial library)
Re: Pentavalent carbonyl issue (urea formation?) [message #1943 is a reply to message #1942] Sat, 24 June 2023 23:45 Go to previous messageGo to previous message
padster is currently offline  padster
Messages: 5
Registered: June 2023
Junior Member
Hi Thomas, thanks for getting back to me. However, I still get the incorrect product when I run your macro. When I try to make it myself, it rearranges the mapping so that each nitrogen is 1, 6, 9 or 12 and the first carbonyl is 2-3, but the second one is 4-5 (see attached image). It is also strange how my old mapping does not work on Windows, but it worked perfectly fine on Mac. I'm getting the idea that the Windows version is reading the mapping different or automatically changes it somehow (if that's even possible).

Image: /forum/index.php?t=getfile&id=740&private=0
Structure: /forum/index.php?t=getfile&id=742&private=0

[Updated on: Sat, 24 June 2023 23:47]

Report message to a moderator

 
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: conformer generation sometimes skips isomer generation
Next Topic: conformer generation misses some entries
Goto Forum:
  


Current Time: Mon Jul 22 01:23:20 CEST 2024

Total time taken to generate the page: 0.03180 seconds