Skip to content

How to highlight the substructure in the image using Fragment module #4648

Answered by dehaenw
gundalav asked this question in General
Discussion options

You must be logged in to vote

If I'm reading the documentation right, I think the Fragment module only returns the number of matches, and no details about where those matches exactly are in the molecule. In case you need a quick reference that has all the SMARTS used in the fragment module uses you can check here https://github.com/rdkit/rdkit/blob/master/Data/FragmentDescriptors.csv

Replies: 1 comment 1 reply

Comment options

You must be logged in to vote
1 reply
@gundalav
Comment options

Answer selected by gundalav
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
2 participants