# Demo Notebook Features ## ABC Modules Showing core properties of each, and see if these fit the needs of the OpenFF people. Trying to pitch the idea that this is what they are trying to propose in phase 1 (shared base object between the two ecosystems) Show extending the gmsobaseSite -> some basic site object (bead, etc) #### Sites * Atom and AtomType #### Connections * Show off Angle and AngleType #### Potentials * Show off PotentialBase and Potential Template ## Working Example Showing ABC in action #### Fully typed Topology (Ethane) - Can go the route from mbuild -> typed Parmed Structure -> GMSO Topology - Mainly try to show how those features will look like in action - Show important features/attributes of various class - Atoms - Bonds, Angles, Dihedrals - AtomTypes, BondTypes, DihedralTypes - Showing off some writers? - GROMACS - LAMMPS - Showcase supported/not supported potential forms - Show off basic serialization of atom, atomtype, etc. - Caveat, full gmso.Top not fully serializable yet (but in works) ## XML format - Important features of our XML format - Conversion from (and to) OpenMM XML ## Specific features not implemented - virtual sites