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IMP Reference Guide  develop.182d9373c4,2021/04/12
The Integrative Modeling Platform
atom/Atom.h File Reference

Simple atom decorator. More...

#include <IMP/atom/atom_config.h>
#include "atom_macros.h"
#include "Residue.h"
#include "Hierarchy.h"
#include "element.h"
#include <IMP/core/utility.h>
#include <IMP/core/XYZ.h>
#include <IMP/base_types.h>
#include <IMP/Particle.h>
#include <IMP/Model.h>
#include <vector>
#include <deque>
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Classes

class  IMP::atom::Atom
 A decorator for a particle representing an atom. More...
 

Namespaces

 IMP
 Base functionality and abstract base classes for representation, scoring and sampling.
 
 IMP::atom
 Functionality for loading, creating, manipulating and scoring atomic structures.
 

Typedefs

typedef IMP::Vector< Atom > IMP::atom::Atoms
 
typedef Key< 8974343 > IMP::atom::AtomType
 
typedef IMP::Vector< AtomType > IMP::atom::AtomTypes
 

Functions

AtomType IMP::atom::add_atom_type (std::string name, Element e)
 Create a new AtomType. More...
 
Atom IMP::atom::get_atom (Residue rd, AtomType at)
 Return a particle atom from the residue. More...
 
bool IMP::atom::get_atom_type_exists (std::string name)
 Return true if that atom type already exists. More...
 
Element IMP::atom::get_element_for_atom_type (AtomType at)
 
Residue IMP::atom::get_residue (Atom d, bool nothrow=false)
 Return the Residue containing this atom. More...
 

Variables

const AtomType IMP::atom::AT_CA
 
const AtomType IMP::atom::AT_N
 
const AtomType IMP::atom::AT_UNKNOWN
 

Detailed Description

Simple atom decorator.

Copyright 2007-2021 IMP Inventors. All rights reserved.

Definition in file atom/Atom.h.