Generateunambiguous true-interface restraints from a PDB file

This is a more strict version of the true-interface restraints that assignsspecific pairs to each residue in the interface.

For each atom in each of the chains, the algorithm defines the pairs based onatomic interactions between any atom of a given residue in the interface andany other atom in an interacting chain. The restraints are later definedconsidering the CA-CA distances of such pairs; thus allowing forside-chain flexibility.

Usage

To run theunambig-ti subcommand, you just need to provide the path to thePDB file and the cutoff distance. For example:

haddock-restraints unambig-ti path/to/complex.pdb 5.0 > unambig.tbl