qmmd.mdsim.ligDihedral
======================

.. py:module:: qmmd.mdsim.ligDihedral


Attributes
----------

.. autoapisummary::

   qmmd.mdsim.ligDihedral.parser


Functions
---------

.. autoapisummary::

   qmmd.mdsim.ligDihedral.plot_lig_dihedral


Module Contents
---------------

.. py:function:: plot_lig_dihedral(md_path: str, system_type: str = 'noncov', inhibitor_list: List[int] = config.inhibitor_list, num_subplots: int = 6, fig_type: str = 'Hist', save_path: Optional[str] = None, show: bool = True) -> None

   Plot ligand dihedral angle analysis from MD simulations.

   :param md_path: Path to the MD data directory.
   :type md_path: str
   :param system_type: Type of system.
   :type system_type: {"cov", "noncov"}, optional
   :param inhibitor_list: List of inhibitor IDs to plot.
   :type inhibitor_list: List[int], optional
   :param num_subplots: Number of subplots.
   :type num_subplots: int, optional
   :param fig_type: Type of plot.
   :type fig_type: {"Hist", "Line"}, optional
   :param save_path: Path to save the plot.
   :type save_path: str, optional
   :param show: Whether to show the plot.
   :type show: bool, optional


.. py:data:: parser