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
-v
Parameters
Input Parameters
Parameter |
Description |
-s: |
The name(path) of the clusterd state trajectory file. |
-c: |
The name(path) of the input coordinates (either ascii or .xtc). |
-S: |
Stats which are be used for filtering (Default: use all states). |
--every-nth: |
Write out only every nth frame. This can be useful to
directly open a splitted xtc file in VMD. (Default: use all
frames). |
--nRandom: |
Extract num random selected frames for each state.
The output is sorted by indices. |
Output Parameters
Parameter |
Description |
-o: |
The basename of the output files (Default: use input name). |
Miscellaneous Parameters
Parameter |
Description |
-v |
Verbose mode with some output. |