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

Definition at line 29 of file ImplicitFastClashCheck.fwd.hh.

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

Definition at line 30 of file ImplicitFastClashCheck.fwd.hh.

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

Definition at line 27 of file ImplicitFastClashCheck.fwd.hh.

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

Definition at line 24 of file ImplicitFastClashCheck.fwd.hh.

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

Definition at line 26 of file Interface.fwd.hh.

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

Definition at line 35 of file InterfaceInfo.fwd.hh.

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

Definition at line 24 of file Interface.fwd.hh.

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

Definition at line 40 of file ImplicitFastClashCheck.cc.

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

Definition at line 65 of file ResidualDipolarCouplingRigidSegments.cc.

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

Definition at line 66 of file ResidualDipolarCouplingRigidSegments.cc.

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

Definition at line 27 of file ResidualDipolarCouplingRigidSegments.fwd.hh.

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

Definition at line 25 of file ResidualDipolarCouplingRigidSegments.fwd.hh.

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

Definition at line 68 of file ResidualDipolarCouplingRigidSegments.cc.

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

Definition at line 67 of file ResidualDipolarCouplingRigidSegments.cc.

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

Definition at line 39 of file ImplicitFastClashCheck.cc.

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
	)

Definition at line 271 of file ResidualDipolarCouplingRigidSegments.cc.

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

ResidualDipolarCouplingRigidSegmentsCOP protocols::scoring::retrieve_RDC_segments_from_pose

(

core::pose::Pose const &

pose)

Definition at line 77 of file ResidualDipolarCouplingRigidSegments.cc.

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

Referenced by core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::eval_atom_derivative(), core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_from_pose(), protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_segments_from_pose(), and core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::setup_for_minimizing().

ResidualDipolarCouplingRigidSegmentsOP protocols::scoring::retrieve_RDC_segments_from_pose

(

core::pose::Pose &

pose)

Definition at line 87 of file ResidualDipolarCouplingRigidSegments.cc.

References core::pose::Pose::data(), 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
	)

Definition at line 71 of file ResidualDipolarCouplingRigidSegments.cc.

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

Referenced by core::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_from_pose(), and protocols::scoring::methods::ResidualDipolarCouplingEnergyRigidSegments::rdc_segments_from_pose().