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Give the user control over functional group recognition #13

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BvB93 opened this issue Feb 26, 2019 · 1 comment

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BvB93 commented Feb 26, 2019

Give the user more control over the functional group recognition.

Create a few presets of common functional groups, presets which can be selected by the user.
Allow the user to supply his/her own presets (i.e. SMILES string representing a functional group).

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BvB93 commented Jul 12, 2019

Implemented; see #42.

BvB93 closed this as completed

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