MolConverter node missing output format instructions

#1

Hi,

Please can the node dialog for the MolConverter node include instructions on what options can be added to the "Output Options" box.

I have worked out that -a results in dearomatisation of the molecule, but I cannot work out what results in aromatisation of the molecule.

Can someone point me to the instructions for this node?

Simon.

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#2

Ahh, well I have worked some of them out after plenty of googling.

In the output options box you can add;

-a               General Dearomatisation

-a_huckel    Huckel Dearomatisation

a                General Aromatisation

a_bas         Basic Aromatisation

a_loose       Loose Aromatisation

a_ambig      Ambiguous Aromatisation

H               Add Explicit Hydrogens

-H              Remove Explicit Hydrogens

 

Hope others find this helpful.

Simon.

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