Public Member Functions
void	Save (const String &filename)
template<typename DS >
void	Serialize (DS &ds)
const ReducedStatOptions &	GetOptions () const
Real	GetTotalEnergy (ost::mol::EntityHandle ent, bool normalize=true)
Real	GetTotalEnergy (ost::mol::EntityView ent, bool normalize=true)
Real	GetEnergy (AminoAcid aa_one, AminoAcid aa_two, Real ca_dist, Real angle) const

Static Public Member Functions
static ReducedPotentialPtr	Create (const ReducedStatisticsPtr &stats)
static ReducedPotentialPtr	Load (const String &filename)
static bool	GetCAlphaCBetaPos (const mol::ResidueHandle &res, geom::Vec3 &ca_pos, geom::Vec3 &cb_pos)

Detailed Description

reduced model statistical potential operating on the residue level

Definition at line 34 of file reduced_potential.hh.

Member Function Documentation

static ReducedPotentialPtr Create ( const ReducedStatisticsPtr & stats )

static

static bool GetCAlphaCBetaPos	(	const mol::ResidueHandle &	res,
		geom::Vec3 &	ca_pos,
		geom::Vec3 &	cb_pos
	)

static

inline

Definition at line 57 of file reduced_potential.hh.

const ReducedStatOptions& GetOptions ( ) const

inline

Definition at line 48 of file reduced_potential.hh.

static ReducedPotentialPtr Load ( const String & filename )

static

void Save ( const String & filename )

void Serialize ( DS & ds )

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