xyz — APBS-PDB2PQR 1.6 documentation

# xyz

For each molecule in the system and for each trajectory, specify a xyz file for the starting position of that molecule. The syntax is:

    xyz {molecule_id} {filename}

`molecule_id`
  An integer (starting at 1) of the molecule index from the READ section
`filename`
  The name of the file for the xyz coordinates of the molecule center for a given trajectory. The trajectories for a given molecule should be ordered sequentially in the ELEC section. </p>

Todo

It would be nice to incorporate the `xyz` functionality into the READ input file section block. Documented in https://github.com/Electrostatics/apbs-pdb2pqr/issues/505