nlesc-nano / flamingo

Computation and filtering of molecular properties
Apache License 2.0
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Filter molecules with a single anchoring functional group #35

Closed felipeZ closed 3 years ago

felipeZ commented 3 years ago

New feature

When filtering molecules based on their functional groups, sometimes is useful to get molecules that have a single given function group (e.g. Carboxylic acid). This feature allows to filter molecules with a single anchoring group.