Rmoltools: are a collection of command line tools that use rmollib, to manipulate and edit pdb and gro files. You may find them useful, but they principally serve as an example of how to use rmollib. It can do the following things:
There is further undocumented functionality, this will be described on the web page when it is reliable.
In this example gromacs is used to perform a molecular dynamics simulation and rmollib is used to set up and adjust the simulation.
See the video at the top right hand side of the page.