libaddRing.py

usage: libaddRing.py [-h] [-n NAME] -w WALK input file

add a ring fragment to your personal library

positional arguments:
  input file            a coordinate file

optional arguments:
  -h, --help            show this help message and exit
  -n NAME, --name NAME  Name of ring being added to the library
                        if no name is given, the ring will be printed to STDOUT
  -w WALK, --walk WALK  comma-separated list of atoms to definethe direction the ring is traversed (1-indexed)