PDB2GMX
=======

.. rubric:: Module

.. code-block:: python

   viennaptm.gromacs.pdb2gmx

.. currentmodule:: viennaptm.gromacs.pdb2gmx

.. autoclass:: PDB2GMX
   :members:


.. automethod:: __init__


.. rubric:: Methods

.. autosummary::

   ~PDB2GMX.__init__

   ~PDB2GMX.build_command

   ~PDB2GMX.build_gromacs_cmd

   ~PDB2GMX.expected_outputs

   ~PDB2GMX.inspect_result

   ~PDB2GMX.mpi_prefix

   ~PDB2GMX.post_run_checks

   ~PDB2GMX.run