RDKit Structure Normalizer node: is the full list of normalization tags description available?

Dear all,

RDKit Structure Normalizer node is an excellent tools for handling molecular structures. With it it's possible to check for eventual structure error, inconsistencies, normalize functional groups, etc. Whether or not the structure can be normalized by the node, it gives a warning flag indicating problems that has been encountered during the process. In the node description are listed 14 common warning flags and their meaning. Nevertheless this list is not complete, as sometime I obtain some warning flags that are not in this list.

Anybody know if and how it would be possible to obtain the full list of normalization warning tags description?

Thank you in advance.

Gio

Hi Gio,

This is, unfortunately only available in the source code.

Creating and collecting a list is a good idea though, I'll see if I can figure out how to do that.

-greg

 

Hi Greg,

Thank you for your answer and information. That would be great to round off this very useful node.

Cheers

Gio