trj_slice.py Command Help

Command: $SCHRODINGER/run trj_slice.py

usage: trj_slice.py [-h] [-output-trajectory-format {dtr,xtc}]
                    [-s START:END:STEP] [-o OUT]
                    cms traj

This script slices the trajectory. A new .cms file will be created together
with the sliced trajectory.

Examples:
  - Extract first 10 frames
    $SCHRODINGER/run trj_slice.py <jobname>-out.cms <jobname>_trj -o output_basename -s :10

  - Extract last 10 frames
    $SCHRODINGER/run trj_slice.py <jobname>-out.cms <jobname>_trj -o output_basename -s=-10:

  - Extract every other frames
    $SCHRODINGER/run trj_slice.py <jobname>-out.cms <jobname>_trj -o output_basename -s ::2

Copyright Schrodinger, LLC. All rights reserved.

positional arguments:
  cms                   Input .cms file name
  traj                  Path to input trajectory, which typically ends with an
                        extension name of '.xtc' (XTC format) or '_trj' (DTR
                        format), e.g., jobname_trj, jobname.xtc

options:
  -h, --help            show this help message and exit
  -output-trajectory-format {dtr,xtc}
                        Output trajectory format. Default: "dtr"
  -s START:END:STEP, -slice-trj START:END:STEP
                        Slice the resultant trajectory. We use Python's slice
                        notation. START, END, and STEP should be integer
                        numbers.
  -o OUT                Output base name. Default: out. An appropriate
                        extension name will be added to the base name.