Drug design tools

Started by dbuske

dbuske Lv 1

Unable to find info on how to use the new ligand tools.
Nothing seems to work we have tried????

free_radical Lv 1

Hi dbuske,

The ligand design tool is located in the same location as the Design Tool and Selection Tool. When you click on the ligand design tool, click on the ligand in the binding pocket and it will pull up a menu where you can change selected atoms.

-free_radical

dbuske Lv 1

I knew how to find the tools.
The design ligand tool, when I change the atom to either or both C and N, the score always goes down.
My group doesn,t think, the tools are ready (Gargleblasters).
The view tool doesn't seem to have any practical use.