PoreMS 0.2
  • API
  • Process
  • Molecule
  • Pore
  • Workflow
  • Site
    • Page
        • Store.job

    Store.job¶

    Store.job(self, name='', master='')¶

    Create job file to run with Antechamber. A shell file and a tleap file are created with all necessary commands to create a topology from a pdb file. For the conversion to GROMACS file format the python package ParmED needs to be installed.

    Parameters:
    name : string, optional

    Filename

    master : string, optional

    Set name for master job file if needed (practical for running multiple topology generations)

    Back to top

    © Copyright 2021, Hamzeh Kraus.
    Created using Sphinx 1.6.6.