Since molecular system coarse-grain topology can be rather complex, we have implemented a number of corresponding object-classes. Here we briefly mention them in a top-down order.
- [System]System
- - Top level object representing the whole molecular system
- [MolType]MolType
- - Molecular type topology representation
- [Molecule]Molecule
- - Molecule instance representation
- [BondType]BondType
- - Group of bonds (pairwise or angle-bending) described by the same interactions potential
- [Bond]Bond
- - Bond instance
- [AtomType]AtomType
- - Atom type representation
- [Atom]Atom
- - Atom instance
