openmolecules.org Forum: Functionality » Deleting 3D Confomers

Home » DataWarrior » Functionality » Deleting 3D Confomers

Show: Today's Messages :: Polls :: Message Navigator

Switch to threaded view of this topic

Create a new topic

Submit Reply

Deleting 3D Confomers [message #1959]

Fri, 14 July 2023 12:53

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

Attachment: Screenshot 2023-07-14 114712.png
(Size: 85.05KB, Downloaded 112 times)

Report message to a moderator

Send a private message to this user

Re: Deleting 3D Confomers [message #1960 is a reply to message #1959]

Fri, 14 July 2023 12:59

thomas is currently offline

thomas
Messages: 715
Registered: June 2014

Senior Member

Data->Delete Columns...
Then select the 3D-coordinate columns you want to delete and press OK

Report message to a moderator

Send a private message to this user

Re: Deleting 3D Confomers [message #1961 is a reply to message #1960]

Fri, 14 July 2023 13:01

umaed is currently offline

umaed
Messages: 2
Registered: July 2023

Junior Member

Amazing! Seems obvious now!
Thank you

Report message to a moderator

Send a private message to this user

Switch to threaded view of this topic

Create a new topic

Submit Reply

Previous Topic:	Chemaxon pKa plugin
Next Topic:	Comparing Structures from two Datawarrior Files

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

PDF

]

Current Time: Sun Nov 24 00:13:52 CET 2024

Total time taken to generate the page: 0.03988 seconds