CHARMMAtom.h File Reference

A decorator for an atom that has a defined CHARMM type. More...

#include <IMP/atom/atom_config.h>
#include "Atom.h"
#include "Hierarchy.h"
#include <IMP/decorator_macros.h>
#include <vector>
#include <limits>

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Classes
class	IMP::atom::CHARMMAtom
	A decorator for an atom that has a defined CHARMM type. 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.

Functions
Atoms	IMP::atom::get_charmm_untyped_atoms (Hierarchy hierarchy)
	Get all atoms in the Hierarchy that do not have CHARMM types. More...
void	IMP::atom::remove_charmm_untyped_atoms (Hierarchy hierarchy)
	Remove any atom from the Hierarchy that does not have a CHARMM type. More...

Detailed Description

A decorator for an atom that has a defined CHARMM type.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file CHARMMAtom.h.