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Home » DataWarrior » Functionality » Stereochemistry of double bonds (Is it possible to define the stereochemistry of double bonds in substructure searches ?)
Re: Stereochemistry of double bonds [message #962 is a reply to message #958] Sat, 20 June 2020 12:58 Go to previous messageGo to previous message
thomas is currently offline  thomas
Messages: 715
Registered: June 2014
Senior Member
in principal this can be done in the substructure editor: with the lasso tool double click a double bond. The bond query feature dialog opens, which lets you select 'Match stereo configuration'. However, it seems that the stereo match is not applied for double bonds, which are part of a small ring (7 or less members). I will look into that...

Thomas
 
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