File model.hpp

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Definition (cif++/model.hpp)

• Program Listing for File model.hpp

Detailed Description

This file contains code to work with models of molecules.

The classes available encapsulate the real world concepts of atoms, residues, monomers, polymers and everything is then bound together in a structure.

This code is not finished yet, ideally it would be a high level interface to manipulate macro molecular structures and an attempt has been made to start work on this. But there’s still a lot that needs to be implemented.

However, the code that is here is still useful in manipulating the underlying mmCIF data model.

Includes

• cif++/atom_type.hpp (File atom_type.hpp)

• cif++/datablock.hpp (File datablock.hpp)

• cif++/point.hpp (File point.hpp)

• memory

• numeric

Included By

• File cif++.hpp

Namespaces

• Namespace cif

• Namespace cif::mm

Classes

• Class atom

• Class branch

• Class monomer

• Class polymer

• Class residue

• Class structure

• Class sugar

Enums

• Enum EntityType

• Enum StructureOpenOptions

Functions

• Function cif::mm::distance

• Function cif::mm::distance_squared

• Function cif::mm::operator&

• Function cif::mm::swap