"This script calculates the binding free-energies for smallest and largest CAVER's tunnels"

Installation procedure:

#####################################
   If you do not have pod2man:
   sudo cpan
   > install Pod::Man
####################################

  ./INSTALL -d dir
          
      -d <v> : Installation directory
      -h : help message


Running procedure:
   
   script_post_CAVER.sh -p CAVER_PDB_DIR -i CAVER_OUT_DIR -o OUTNAME -c CPU -a C:N:O -t bottleneck -S sshlogin
          
      -p   : "CAVER's md_snapshots DIRECTORY"
      -i   : "CAVER's out DIRECTORY"
      -o   : "Output name"
      -c   : "Number of CPU (default: 1)"
      -a   : "Atoms types (default: C:N:O)"
      -t   : "curvature:length:bottleneck"
      -S   : "Distribute jobs to remote computers. The jobs will be run on a list of remote computers. (Example: name@nodeXX)"

    Atoms types:
        H      # Non H-bonding Hydrogen
        HD     # Donor 1 H-bond Hydrogen
        HS     # Donor S Spherical Hydrogen
        C      # Non H-bonding Aliphatic Carbon
        A      # Non H-bonding Aromatic Carbon
        N      # Non H-bonding Nitrogen
        NA     # Acceptor 1 H-bond Nitrogen
        NS     # Acceptor S Spherical Nitrogen
        OA     # Acceptor 2 H-bonds Oxygen
        OS     # Acceptor S Spherical Oxygen
        F      # Non H-bonding Fluorine
        Mg     # Non H-bonding Magnesium
        MG     # Non H-bonding Magnesium
        P      # Non H-bonding Phosphorus
        SA     # Acceptor 2 H-bonds Sulphur
        S      # Non H-bonding Sulphur
        Cl     # Non H-bonding Chlorine
        CL     # Non H-bonding Chlorine
        Ca     # Non H-bonding Calcium
        CA     # Non H-bonding Calcium
        Mn     # Non H-bonding Manganese
        MN     # Non H-bonding Manganese
        Fe     # Non H-bonding Iron
        FE     # Non H-bonding Iron
        Zn     # Non H-bonding Zinc
        ZN     # Non H-bonding Zinc
        Br     # Non H-bonding Bromine
        BR     # Non H-bonding Bromine
        I      # Non H-bonding Iodine
        Z      # Non H-bonding covalent map
        G      # Ring closure Glue Aliphatic Carbon  # SF
        GA     # Ring closure Glue Aromatic Carbon   # SF
        J      # Ring closure Glue Aliphatic Carbon  # SF
        Q      # Ring closure Glue Aliphatic Carbon  # SF

    Option:
 
      -h : help message

    Version:

      version : 1.0