Filter input coordinates by states

Introduction

This tool is able to split the input coordinates into the obtained state trajectory. It is able to handle both, ascii and xtc files.

Execution

             
clustering filter -s state_file
                  -c coords
                  -o output_basename
                  -S selection_of_states
                  --every-nth num
                  --nRandom num
                  -v

Parameters

Input Parameters

Parameter Description
\(\mathtt{\mbox{-}s :}\) The name(path) of the clusterd state trajectory file.
\(\mathtt{\mbox{-}c :}\) The name(path) of the input coordinates (either ascii or .xtc).
\(\mathtt{\mbox{-}S :}\) Stats which are be used for filtering (Default: use all states).
\(\mathtt{\mbox{-}\mbox{-}every\mbox{-}nth :}\) Write out only every nth frame. This can be useful to directly open a splitted xtc file in VMD. (Default: use all frames).
\(\mathtt{\mbox{-}\mbox{-}nRandom :}\) Extract num random selected frames for each state. The output is sorted by indices.

Output Parameters

Parameter Description
\(\mathtt{\mbox{-}o :}\) The basename of the output files (Default: use input name).

Miscellaneous Parameters

Parameter Description
\(\mathtt{\mbox{-}v}\) Verbose mode with some output.