Atom replacer

Hi,

The Indigo nodes have an Atom Replacer node. Is there similar functionality among the RDKit nodes?

Thanks!

Unfortunately no, but it would be really useful if there was :-)

 

Simon.

Sorry, I don't know the Indigo nodes. What would/should this node do?

-greg

 

Hi Greg,

It simply allows one to choose an atom type and replace it with something else. This is for example useful if you use the Matched Pairs Detector node from the Erl Wood nodes. This node creates fragments with attachment points defined as 'A', which cannot be searched using smarts. They need to be converted first into something searchable. Here's a snapshot of theAtom replacer node configuration options.

Cheers,

Evert