Script merge-molecules.pyΒΆ

usage: merge-molecules.py [-h] [-o [FN_OUTPUT]] files [files ...]

Merges several PFANT molecular lines file into a single one

positional arguments:
  files                 files specification: list of files, wildcards allowed

optional arguments:
  -h, --help            show this help message and exit
  -o [FN_OUTPUT], --fn_output [FN_OUTPUT]
                        output filename. If not specified, creates file such
                        as 'molecules-merged-.0000.dat' (default: (automatic))

This script belongs to package pyfant