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Deleting 3D Confomers [message #1959] Fri, 14 July 2023 12:53 Go to next message
umaed is currently offline  umaed
Messages: 2
Registered: July 2023
Junior Member
Hello

I am trying to delete excess confomers I have made. These clutter the detail area.
I add new chemicals to my database, but then want to generate new confomers to make sure the whole database has them. Is there a way to delete old confomers across the database to only have the new ones? (see pic)

Can I do confomers for one molecule at a time if I add one or 2 to the database?

Many thanks
Re: Deleting 3D Confomers [message #1960 is a reply to message #1959] Fri, 14 July 2023 12:59 Go to previous messageGo to next message
thomas is currently offline  thomas
Messages: 655
Registered: June 2014
Senior Member
Data->Delete Columns...
Then select the 3D-coordinate columns you want to delete and press OK
Re: Deleting 3D Confomers [message #1961 is a reply to message #1960] Fri, 14 July 2023 13:01 Go to previous message
umaed is currently offline  umaed
Messages: 2
Registered: July 2023
Junior Member
Amazing! Seems obvious now!
Thank you
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