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
- - Top level object representing the whole molecular system
- MolType
- - Molecular type topology representation
- Molecule
- - Molecule instance representation
- BondType
- - Group of bonds (pairwise or angle-bending) described by the same interactions potential
- Bond
- - Bond instance
- AtomType
- - Atom type representation
- Atom
- - Atom instance
