Generate unambiguous restraints to keep molecules together during docking

In some scenarios, you might be docking proteins that contain structural gaps, but you still want to keep the molecules and ligands in their place together during the docking process. This is where the restraint subcommand comes in handy.

It will generate unambiguous restraints to keep the molecules together during docking.

Usage

To run the restraint subcommand, you just need to provide the path to the PDB file. For example:

haddock-restraints restraint path/to/complex.pdb > unambig.tbl