haddock.clis.restraints.passive_from_active module
haddock3-restraints passive_from_active subcommand.
Given a list of active_residues and a PDB structure, it will return a list of surface exposed passive residues within a 6.5A radius from the active residues.
When provided with a list of surface residues, it will filter the list for those that are within 6.5A from the active residues.
- Usage:
haddock3-restraints passive_from_active <pdb_file> <active_list> [-c <chain_id>] [-s <surface_list>]