[Scaffoldhunter-users] How to find the exact input molecules?

[Jing Lu <aj...@gm...>]

Dear Scaffold Hunter developers,


I try to put ligand id to tooltip to keep track of each molecule. It seems
like not possible. Moreover, I find Scaffold Hunter even change the SMILE
string I put in the input file. How to keep track of the exact molecule?

Does Scaffold Hunter convert the original input molecules to a scaffold
first? Because, when I checking the leaf nodes, the structure does not
really exist in my input file. How to inteperate that?



Thanks,
Jing