protocols::scoring Namespace Reference

Namespaces
	methods

Classes
class	ImplicitFastClashCheck
class	InterchainPotential
class	Interface
class	InterfaceInfo
	Keep track of the interface information. More...
class	ResidualDipolarCouplingRigidSegments
	ResidualDipolarCouplingRigidSegmentss are mainly handled by this class related classed: RDC — a single line in an RDC file - representing a single dipolar coupling ResidualDipolarCouplingRigidSegmentsEnergy – an energy method which triggers computations handled by this class. More...

Typedefs
typedef numeric::xyzVector< Real >	Vec
typedef numeric::xyzMatrix< Real >	Mat
typedef utility::pointer::owning_ptr < ImplicitFastClashCheck >	ImplicitFastClashCheckOP
typedef utility::pointer::owning_ptr < ImplicitFastClashCheck const >	ImplicitFastClashCheckCOP
typedef utility::pointer::access_ptr < ImplicitFastClashCheck >	ImplicitFastClashCheckAP
typedef utility::pointer::access_ptr < ImplicitFastClashCheck const >	ImplicitFastClashCheckCAP
typedef utility::pointer::owning_ptr < Interface >	InterfaceOP
typedef utility::pointer::owning_ptr < Interface const >	InterfaceCOP
typedef utility::pointer::owning_ptr < InterfaceInfo >	InterfaceInfoOP
typedef utility::vector1 < core::scoring::RDC >	RDC_lines
typedef utility::vector1 < core::scoring::ResidualDipolarCoupling::RDC_lines >	RDC_lines_collection
typedef core::Real	Tensor [3][3]
typedef core::Real	rvec [3]
typedef utility::pointer::owning_ptr < ResidualDipolarCouplingRigidSegments >	ResidualDipolarCouplingRigidSegmentsOP
typedef utility::pointer::owning_ptr < ResidualDipolarCouplingRigidSegments const >	ResidualDipolarCouplingRigidSegmentsCOP

Functions
static core::Size	max_interchain_sites (2)
void	store_RDC_segments_in_pose (ResidualDipolarCouplingRigidSegmentsOP rdcrs_info, core::pose::Pose &pose)
ResidualDipolarCouplingRigidSegmentsCOP	retrieve_RDC_segments_from_pose (core::pose::Pose const &pose)
ResidualDipolarCouplingRigidSegmentsOP	retrieve_RDC_segments_from_pose (core::pose::Pose &pose)
std::ostream &	operator<< (std::ostream &out, ResidualDipolarCouplingRigidSegments const &rdcrs)

Typedef Documentation

typedef utility::pointer::access_ptr< ImplicitFastClashCheck > protocols::scoring::ImplicitFastClashCheckAP

typedef utility::pointer::access_ptr< ImplicitFastClashCheck const > protocols::scoring::ImplicitFastClashCheckCAP

typedef utility::pointer::owning_ptr< ImplicitFastClashCheck const > protocols::scoring::ImplicitFastClashCheckCOP

typedef utility::pointer::owning_ptr< ImplicitFastClashCheck > protocols::scoring::ImplicitFastClashCheckOP

typedef utility::pointer::owning_ptr< Interface const > protocols::scoring::InterfaceCOP

typedef utility::pointer::owning_ptr< InterfaceInfo > protocols::scoring::InterfaceInfoOP

typedef utility::pointer::owning_ptr< Interface > protocols::scoring::InterfaceOP

typedef numeric::xyzMatrix<Real> protocols::scoring::Mat

typedef utility::vector1<core::scoring::RDC> protocols::scoring::RDC_lines

typedef utility::vector1< core::scoring::ResidualDipolarCoupling::RDC_lines > protocols::scoring::RDC_lines_collection

typedef utility::pointer::owning_ptr< ResidualDipolarCouplingRigidSegments const > protocols::scoring::ResidualDipolarCouplingRigidSegmentsCOP

typedef utility::pointer::owning_ptr< ResidualDipolarCouplingRigidSegments > protocols::scoring::ResidualDipolarCouplingRigidSegmentsOP

typedef core::Real protocols::scoring::rvec[3]

typedef core::Real protocols::scoring::Tensor[3][3]

typedef numeric::xyzVector<Real> protocols::scoring::Vec

Function Documentation

static core::Size protocols::scoring::max_interchain_sites ( 2  )

static

Referenced by protocols::scoring::Interface::calculate(), and protocols::scoring::Interface::show().

std::ostream & protocols::scoring::operator<<	(	std::ostream &	out,
		ResidualDipolarCouplingRigidSegments const &	rdcrs
	)

References protocols::scoring::ResidualDipolarCouplingRigidSegments::show().

ResidualDipolarCouplingRigidSegmentsCOP protocols::scoring::retrieve_RDC_segments_from_pose

(

core::pose::Pose const &

pose

)

References core::pose::Pose::data(), basic::datacache::BasicDataCache::get_const_ptr(), basic::datacache::BasicDataCache::has(), and core::pose::datacache::CacheableDataType::RESIDUAL_DIPOLAR_COUPLING_SEGMENTS_DATA.

Referenced by protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_segments_from_pose().

ResidualDipolarCouplingRigidSegmentsOP protocols::scoring::retrieve_RDC_segments_from_pose

(

core::pose::Pose &

pose

)

References core::pose::Pose::data(), basic::datacache::BasicDataCache::get_ptr(), basic::datacache::BasicDataCache::has(), and core::pose::datacache::CacheableDataType::RESIDUAL_DIPOLAR_COUPLING_SEGMENTS_DATA.

void protocols::scoring::store_RDC_segments_in_pose	(	ResidualDipolarCouplingRigidSegmentsOP	rdcrs_info,
		core::pose::Pose &	pose
	)

References core::pose::Pose::data(), core::pose::datacache::CacheableDataType::RESIDUAL_DIPOLAR_COUPLING_SEGMENTS_DATA, and basic::datacache::BasicDataCache::set().

Referenced by protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_segments_from_pose().