openmolecules.org

 
Home » DataWarrior » Cheminformatics » Non-aromatic Het Rings (bridgehead rings)
Non-aromatic Het Rings [message #1037] Sun, 09 August 2020 05:12 Go to next message
sansun is currently offline  sansun
Messages: 50
Registered: April 2019
Member
I was wondering how DW handles the rings with a bridgehead.
In following structure it is showing 8 counts for the Non-aromatic Het ring.
Shouldn't it count 10?

Also, does this count include rings of all sizes or only upto 7-membered.

index.php?t=getfile&id=257&private=0
  • Attachment: rings.PNG
    (Size: 7.78KB, Downloaded 653 times)

Report message to a moderator

Re: Non-aromatic Het Rings [message #1038 is a reply to message #1037] Tue, 11 August 2020 15:02 Go to previous messageGo to next message
thomas is currently offline  thomas
Messages: 730
Registered: June 2014
Senior Member
the ring counts all refer to small rings with up to seven atom members. Otherwise we would have more than 20 rings in your structure with all the possible cyclic paths.

Report message to a moderator

Re: Non-aromatic Het Rings [message #1059 is a reply to message #1038] Thu, 27 August 2020 18:44 Go to previous message
sansun is currently offline  sansun
Messages: 50
Registered: April 2019
Member
OK, Thanks

Report message to a moderator

Previous Topic: TPSA
Next Topic: Batch conversion of dwar files
Goto Forum:
  

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

Current Time: Fri May 09 06:11:05 CEST 2025

Total time taken to generate the page: 0.03441 seconds
openmolecules.org