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