Clustering::Filter Namespace Reference

functionality for filtering coordinates or order parameters (ASCII or GROMACS' .xtc) based on state trajectory. More...

Functions
void	main (boost::program_options::variables_map args)

Detailed Description

functionality for filtering coordinates or order parameters (ASCII or GROMACS' .xtc) based on state trajectory.

Function Documentation

void Clustering::Filter::main

(

boost::program_options::variables_map

args

)

controlling function and user interface for state filtering.

parsed arguments:

• states: input file with state trajectory
• coords: ASCII or .xtc file with coordinates or order parameters
• output: filtered coordinates
• state: selected state that should be filtered from full data set

Definition at line 47 of file state_filter.cpp.