Crate grafen

Define and construct systems used for molecular simulations.

Modules

coord

Implement elementary coordinate operations.

database

Collect definitions for Residue and SheetConf objects into a DataBase which can be read from or saved to disk.

describe

Describe objects in an informative way.

error

Implements the custom GrafenError class for the library.

iterator

Iterate over atoms in components.

surface

Define and construct 2D surface objects.

system

Contains the basic structures of an atomic system.

volume

Define and construct 3D volume objects.

Macros

create_entry_wrapper

Macro to wrap every object constructor into an enum with desired traits.

impl_component

Macro to implement Component for an object.

impl_translate

Macro to implement Translate for an object with an origin variable.

resbase

Construct a Residue with a code and atoms.