The type of an atom. More...

#include <IMP/atom/Atom.h>

Related Functions
(Note that these are not member functions.)
AtomType	add_atom_type (std::string name, Element e)
	Create a new AtomType. More...

const AtomType	AT_CA

const AtomType	AT_N

const AtomType	AT_UNKNOWN

Detailed Description

The standard Atom names in IMP are derived from the PDB names as follows:

the AtomType of a protein, DNA or RNA atom is the AtomType created from the PDB atom name string with spaces removed. For example, a protein C-alpha has the name AtomType("CA").
the AtomType for a hetero (HETATM) atom is the AtomType created by prefixing "HET:" to the PBD atom name string (this time without spaces removed). For example, a calcium atom is AtomType("HET:CA ").

We provide an AtomType instance for each of the standard PDB atom types. These have names such as IMP::atom::AT_N. The full list is elided for readability.

An AtomType implies an element (and hence a mass). While we have the associations set up for protein, DNA and RNA atoms, it may be necessary to add them for hetero atoms. You can use the add_atom_type() function to do this.

All atoms have the mass stored internally using a Mass decorator.

See Also: IMP::atom::Atom

Friends And Related Function Documentation

AtomType add_atom_type	(	std::string	name,
		Element	e
	)

Note: This method has not been tested. If you use it, please write a test and remove this comment.

See Also: atom_type_exists()

const AtomType AT_CA

const AtomType AT_N

const AtomType AT_UNKNOWN

The documentation for this class was generated from the following file:

atom/Atom.h

Related Functions

Detailed Description

Friends And Related Function Documentation