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Home » DataWarrior » Functionality » Feature request: Structure does not contain (I'd like to see all compounds lacking a particular structure)
Re: Feature request: Structure does not contain [message #2296 is a reply to message #2295] Fri, 06 September 2024 09:58 Go to previous message
thomas is currently offline  thomas
Messages: 715
Registered: June 2014
Senior Member
There are two easy ways to achieve that:
- use a structure filter in 'contains' mode and just draw one atom; then invert the filter
or
- use a structure filter in 'contains' mode and just draw one atom; select the lasso tool,
double click the atom and select 'is part of exclude group'

Now you could use 'List->Create Row List From->Visible Rows...'
 
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