R substituent mol object to smiles complete display

partridgejiang / Kekule.js

A Javascript cheminformatics toolkit.

http://partridgejiang.github.io/Kekule.js

MIT License

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R substituent mol object to smiles complete display #248

Open niuzhenjiang opened 2 years ago

niuzhenjiang commented 2 years ago

Sorry for always asking some strange questions, this time my requirement is to display the complete display when I want to convert the R substituent into SMILES, not to display , I found return = SMI in kekule.io.smiles.js .ATOM_WILDCARD, but there is no idea behind, I don’t know how to get the R substituent, replace , can you help me, thank you very much.

partridgejiang commented 2 years ago

Hi @niuzhenjiang, the * will be output to SMILES when the substituent group structure is not clearly defined. Could the molecule data (e.g.,saved in MOL format) be provided here?

niuzhenjiang commented 2 years ago

My idea came true！thank you very much