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Re: Category Filter logic [message #2001 is a reply to message #2000] Thu, 07 September 2023 22:31 Go to previous message
nbehrnd is currently offline  nbehrnd
Messages: 224
Registered: June 2019
Senior Member
Dear Thomas,

chemsim() attracted attention because of a recent find that openbabel's not only can retrieve molecules sharing a structural motif as a filter criterion, yet equally can highlight substructures, e.g. (discounting the backticks / accents graves) `obabel -:"c1ccncc1CCOC" -O example.png -s "c1ccncc1 blue"` in visual outputs.

Thank you,

Norwid
 
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