[rDock-list-def] Rotable ligand bonds define

[Matteo U. <m....@ho...>]

Dear All.


Can you tell if is it possible to define which bonds are able to rotate (or not) in the ligand during the docking?

If I understand the program use a full flexible ligand, so does it allow the double bounds rotation?


For example, I'm trying to dock a ligand with an alkene chain and some bounds are in a resonance form. I don't want it to rotate.


Can you help me?


Matteo.