In this work, new computational analysis tools will be introduced, providing illustrated case studies. These tools which have not been previously shared with the community via a publicly available and well-tested software package, provide an automated approach to investigate the interfaces present in soft matter systems, the interactions which govern the association of the molecules within soft matter, and the self-assembly of soft matter. The software can be employed to investigate different kinds of soft matter systems (and for that matter could be utilised for any kind of nanoparticle or interface), since the implemented algorithms are entirely chemically agnostic. With this new release, we aim to support the acceleration of the computer-aided development of novel materials.