force_fields.h File Reference

Define functions to add bonds and radii to atoms. More...

#include <IMP/atom/atom_config.h>
#include "Hierarchy.h"
#include "ForceFieldParameters.h"
#include "CHARMMParameters.h"
#include <string>

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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
void	IMP::atom::add_bonds (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
	Add bonds using definitions from given force field parameters. More...
void	IMP::atom::add_radii (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))
	Add vdW radius from given force field. More...

Detailed Description

Define functions to add bonds and radii to atoms.

Copyright 2007-2022 IMP Inventors. All rights reserved.

Definition in file force_fields.h.