Module grafen::system
[−]
[src]
Contains the basic structures of an atomic system.
A final system consists of a set of Component
s. Each Component
in turn consists of a collection of Residue
s, which
can be moved around and translated with ease. Each Residue
consists of some Atom
s. These atoms have positions
relative to their parent.
This somewhat convoluted structure is inherited from molecular simulation packages in which atoms are commonly grouped as such. A proper physical way to look at is that atoms can be similarly grouped into molecules.
Structs
Atom |
Every atom in a residue has their own code and relative position some base coordinate. |
Residue |
A base for generating atoms belonging to a residue. |
System |
Main structure of a constructed system with several components. |
Traits
Component |
Methods for yielding atoms and output information from constructed objects. |