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
	All IMP::kernel code is brought into the IMP namespace.
	IMP::atom
	See IMP.atom for more information.

Functions
void	IMP::atom::add_bonds (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters())
void	IMP::atom::add_radii (Hierarchy d, const ForceFieldParameters *ffp=get_all_atom_CHARMM_parameters(), FloatKey radius_key=FloatKey("radius"))

Detailed Description

Copyright 2007-2014 IMP Inventors. All rights reserved.

Definition in file force_fields.h.