%
% API Documentation for nMOLDYN
% Module nMOLDYN.GUI.TrajectoryConversionDialog
%
% Generated by epydoc 3.0.1
% [Thu Oct  8 17:00:02 2009]
%

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%%                          Module Description                           %%
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    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}|(}
\section{Module nMOLDYN.GUI.TrajectoryConversionDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog}
\begin{alltt}
This modules implements I\{File --{\textgreater} Trajectory conversion --{\textgreater} converter\} dialog.

Classes:
    * AmberNetCDFConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} Amber NetCDF to MMTK\} dialog used to 
      convert an AMBER trajectory to a MMTK NetCDF trajectory.
    * CHARMMConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} CHARMM/X-PLOR to MMTK\} dialog used to 
      convert a CHARMM or X-PLOR trajectory to a MMTK NetCDF trajectory.
    * DL\_POLYConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} DL\_POLY to MMTK\} dialog used to 
      convert a DL\_POLY trajectory to a MMTK NetCDF trajectory.      
    * MaterialsStudioConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} MaterialsStudio --{\textgreater} Discover to MMTK\} or 
      I\{File--{\textgreater}Trajectory conversion --{\textgreater} MaterialsStudio --{\textgreater} Forcite to MMTK\} dialogs used to convert a Discover or a 
      Forcite trajectory to a MMTK NetCDF trajectory.
    * NAMDConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} NAMD to MMTK\} dialog used to 
      convert a NAMD trajectory to a MMTK NetCDF trajectory.
    * VASPConverterDialog: sets up I\{File--{\textgreater}Trajectory conversion --{\textgreater} VASP to MMTK\} dialog used to 
      convert a VASP trajectory to a MMTK NetCDF trajectory.
\end{alltt}


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%%                           Class Description                           %%
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    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}|(}
\subsection{Class AmberNetCDFConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog}}
\end{tabular}

Sets up a dialog for the conversion from an Amber NetCDF trajectory to a 
MMTK NetCDF trajectory.

\textbf{Note:} the conversion requires a AMber NetCDF and PDB file and the time step in ps
between two frames.




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
      \textbf{Parameters}
      \vspace{-1ex}

      \begin{quote}
        \begin{Ventry}{xxxxxx}

          \item[parent]

          the parent widget.

        \end{Ventry}

      \end{quote}

    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method starts the conversion.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:AmberNetCDFConverterDialog:suggestOutputFilename}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog.suggestOutputFilename \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{suggestOutputFilename}(\textit{self}, *\textit{dummy})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method will propose a name for the output file based on the name 
    of the loaded file.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.AmberNetCDFConverterDialog \textit{(class)}|)}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                           Class Description                           %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}|(}
\subsection{Class CHARMMConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog}}
\end{tabular}

Sets up a dialog used for the conversion from a CHARMM/X-PLOR/NAMD 
trajectory to a MMTK NetCDF trajectory.

\textbf{Note:} the conversion requires CHARMM/X-PLOR DCD and PDB files.




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
      \textbf{Parameters}
      \vspace{-1ex}

      \begin{quote}
        \begin{Ventry}{xxxxxx}

          \item[parent]

          the parent widget.

        \end{Ventry}

      \end{quote}

    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method starts the conversion.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:CHARMMConverterDialog:suggestOutputFilename}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog.suggestOutputFilename \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{suggestOutputFilename}(\textit{self}, *\textit{dummy})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method will propose a name for the output file based on the name 
    of the loaded file.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.CHARMMConverterDialog \textit{(class)}|)}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                           Class Description                           %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}|(}
\subsection{Class DL\_POLYConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog}}
\end{tabular}

Sets up a dialog used for the conversion from a DL\_POLY trajectory to a 
MMTK NetCDF trajectory.

\textbf{Note:} the conversion requires the DL\_POLY FIELD and HISTORY files and additional
information to specify the atoms whose names is not sufficient to determine
which element they are.




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
      \textbf{Parameters}
      \vspace{-1ex}

      \begin{quote}
        \begin{Ventry}{xxxxxx}

          \item[parent]

          the parent widget.

        \end{Ventry}

      \end{quote}

    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:DL_POLYConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.DL\_POLYConverterDialog \textit{(class)}|)}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                           Class Description                           %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}|(}
\subsection{Class MaterialsStudioConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog}}
\end{tabular}

Sets up a dialog used for the conversion from a MaterialsStudio trajectory 
to a MMTK NetCDF trajectory.

\textbf{Note:} the conversion requires MaterialsStudio XTD or XSD file and HIS or TRJ 
files according to the MaterialsStudio modules used to produce the 
trajectory (HIS for Discover and TRJ for Forcite).




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent}, \textit{module})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
      \textbf{Parameters}
      \vspace{-1ex}

      \begin{quote}
        \begin{Ventry}{xxxxxx}

          \item[parent]

          the parent widget.

        \end{Ventry}

      \end{quote}

    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:MaterialsStudioConverterDialog:suggestOutputFilename}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog.suggestOutputFilename \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{suggestOutputFilename}(\textit{self}, *\textit{dummy})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method will propose a name for the output file based on the name 
    of the loaded file.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.MaterialsStudioConverterDialog \textit{(class)}|)}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                           Class Description                           %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}|(}
\subsection{Class NAMDConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog}}
\end{tabular}

Sets up a dialog used for the conversion from a CHARMM/X-PLOR/NAMD 
trajectory to a MMTK NetCDF trajectory.

\textbf{Note:} the conversion requires CHARMM/X-PLOR/NAMD DCD and PDB files and optionnaly
the simulation box dimensions.




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method starts the conversion.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:NAMDConverterDialog:suggestOutputFilename}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog.suggestOutputFilename \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{suggestOutputFilename}(\textit{self}, *\textit{dummy})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    This method will propose a name for the output file based on the name 
    of the loaded file.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.NAMDConverterDialog \textit{(class)}|)}

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                           Class Description                           %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}|(}
\subsection{Class VASPConverterDialog}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog}
\begin{tabular}{cccccc}
% Line for nMOLDYN.GUI.Widgets.Toplevel, linespec=[False]
\multicolumn{2}{r}{\settowidth{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}\multirow{2}{\BCL}{nMOLDYN.GUI.Widgets.Toplevel}}
&&
  \\\cline{3-3}
  &&\multicolumn{1}{c|}{}
&&
  \\
&&\multicolumn{2}{l}{\textbf{nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog}}
\end{tabular}

Sets up a dialog used for the conversion from a VASP trajectory to a MMTK 
NetCDF trajectory.

\textbf{Note:} the conversion requires the VASP CONTCAR or POSCAR and XDATCAR files.




%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%                                Methods                                %%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

  \subsubsection{Methods}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:__init__}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.\_\_init\_\_ \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{\_\_init\_\_}(\textit{self}, \textit{parent})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    The constructor.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:body}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.body \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{body}(\textit{self}, \textit{master})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Create dialog body. Return widget that should have initial focus.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:buttonbox}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.buttonbox \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{buttonbox}(\textit{self})

    \vspace{-1.5ex}

    \rule{\textwidth}{0.5\fboxrule}
\setlength{\parskip}{2ex}
    Add standard button box.

\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:ok}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.ok \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{ok}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:cancel}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.cancel \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{cancel}(\textit{self}, \textit{event}={\tt None})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:validate}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.validate \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{validate}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \label{nMOLDYN:GUI:TrajectoryConversionDialog:VASPConverterDialog:apply}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog.apply \textit{(method)}}

    \vspace{0.5ex}

\hspace{.8\funcindent}\begin{boxedminipage}{\funcwidth}

    \raggedright \textbf{apply}(\textit{self})

\setlength{\parskip}{2ex}
\setlength{\parskip}{1ex}
    \end{boxedminipage}

    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}!nMOLDYN.GUI.TrajectoryConversionDialog.VASPConverterDialog \textit{(class)}|)}
    \index{nMOLDYN \textit{(package)}!nMOLDYN.GUI \textit{(package)}!nMOLDYN.GUI.TrajectoryConversionDialog \textit{(module)}|)}
