NAME

xtp_modify_jobfile - Part of the VOTCA package

SYNOPSIS

xtp_modify_jobfile [OPTIONS]

xtp_modify_jobfile [–help]

DESCRIPTION

Creates a subset Jobfile from a larger Jobfile using selection criteria

OPTIONS

optional arguments:

  -h, --help                                              show this help
                                                          message and exit
  -i J_INPUT, --input J_INPUT                             Jobfile file to
                                                          select from.
  -o J_OUTPUT, --output J_OUTPUT                          Filename to write
                                                          new jobfile to.
  -l JOB_IDS [JOB_IDS ...], --job_ids JOB_IDS [JOB_IDS ...]
                                                          Either a list of ids
                                                          '1 3 5' or a range
                                                          '1-5' or a
                                                          combination thereof
  -s SELECTOR, --selector SELECTOR                        A more flexible way
                                                          to select jobs can
                                                          be combined with
                                                          ranges. Specify the
                                                          xml tag you want
                                                          inside the job via
                                                          e.g. 'input/regions/
                                                          region.id:0'. The
                                                          tag must exist and
                                                          the value behind the
                                                          colon supports '?'
                                                          and '*' wildcards