protocols::sic_dock::scores Namespace Reference

Classes
class	MotifHashRigidScore
class	TrisBpyScore

Typedefs
typedef core::Real	Real
typedef core::Size	Size
typedef core::pose::Pose	Pose
typedef Xform	Xform
typedef numeric::xyzVector< Real >	Vec
typedef numeric::xyzMatrix< Real >	Mat
typedef utility::vector1< Vec >	Vecs
typedef utility::vector1< Real >	Reals
typedef utility::vector1< Size >	Sizes
typedef numeric::Xforms	Xforms
typedef utility::vector1 < RigidScoreCOP >	Scores
typedef utility::pointer::owning_ptr < MotifHashRigidScore >	MotifHashRigidScoreOP
typedef utility::pointer::owning_ptr < MotifHashRigidScore const >	MotifHashRigidScoreCOP
typedef utility::pointer::owning_ptr < TrisBpyScore >	TrisBpyScoreOP
typedef utility::pointer::owning_ptr < TrisBpyScore const >	TrisBpyScoreCOP

Functions
protocols::motif_hash::Real6	get_rt6 (Xform const &x)
static Xform const	bpybb (CA, N, CA, C)
static Vec const	CBlocal (~bpybb *CB)
static Mat const	R3z1 (numeric::z_rotation_matrix_degrees(0.0))
static Mat const	R3z2 (numeric::z_rotation_matrix_degrees(120.0))
static Mat const	R3z3 (numeric::z_rotation_matrix_degrees(240.0))
static Mat const	chiral1 (Mat::cols(1, 0, 0, 0, 1, 0, 0, 0, 1))
static Mat const	chiral2 (Mat::cols(1, 0, 0, 0, 1, 0, 0, 0,-1))
static Mat const	chiral3 (Mat::cols(1, 0, 0, 0,-1, 0, 0, 0, 1))
static Mat const	chiral4 (Mat::cols(1, 0, 0, 0,-1, 0, 0, 0,-1))
void	printbpy (std::ostream &out, Xform const &x, int resi=1000)

Variables
static basic::Tracer	TR ("protocols.sic_dock.scores.MotifHashRigidScore")
static basic::Tracer	TR ("protocols.sic_dock.scores.TrisBpyScore")
static Vec const	N (2.649,-1.227, 1.777)
static Vec const	CA (3.946,-0.851, 1.187)
static Vec const	C (4.775, 0.037, 2.144)
static Vec const	O (4.410, 0.106, 3.359)
static Vec const	CB (3.569,-0.000, 0.000)
static Vec const	CG (3.018,-0.767,-1.287)
static Vec const	CD (1.984,-0.166,-1.966)
static Vec const	C28 (3.529,-1.952,-1.749)
static Vec const	N5 (0.291,-1.619,-5.187)
static Vec const	N6 (1.455,-0.715,-3.073)
static Vec const	C21 (-0.325,-1.956,-6.336)
static Vec const	C22 (0.087,-3.028,-7.100)
static Vec const	C23 (1.133,-3.793,-6.665)
static Vec const	C24 (1.768,-3.468,-5.482)
static Vec const	C25 (1.336,-2.377,-4.760)
static Vec const	C29 (3.015,-2.510,-2.888)
static Vec const	C30 (1.975,-1.875,-3.536)
static Vec const	FE (0.000, 0.000,-4.157)
static Vec const	clash_coords [12] = {CB,CD,C28,N5,N6,C21,C22,C23,C24,C25,C29,C30 }
static Mat const	R3z [3] = { R3z1, R3z2, R3z3 }
static Mat const	chiral [4] = { chiral1, chiral2, chiral3, chiral4 }
static Vec const	nbr2 (C29)
static Vec const	nbr1 (C22)
static Vec const	nbr [6] = { nbr1, nbr2, R3z2*nbr1, R3z2*nbr2, R3z3*nbr1, R3z3*nbr2 }

Typedef Documentation

typedef numeric::xyzMatrix< Real > protocols::sic_dock::scores::Mat

typedef utility::pointer::owning_ptr< MotifHashRigidScore const > protocols::sic_dock::scores::MotifHashRigidScoreCOP

typedef utility::pointer::owning_ptr< MotifHashRigidScore > protocols::sic_dock::scores::MotifHashRigidScoreOP

typedef core::pose::Pose protocols::sic_dock::scores::Pose

typedef core::Real protocols::sic_dock::scores::Real

typedef utility::vector1< Real > protocols::sic_dock::scores::Reals

typedef utility::vector1< RigidScoreCOP > protocols::sic_dock::scores::Scores

typedef core::Size protocols::sic_dock::scores::Size

typedef utility::vector1< Size > protocols::sic_dock::scores::Sizes

typedef utility::pointer::owning_ptr< TrisBpyScore const > protocols::sic_dock::scores::TrisBpyScoreCOP

typedef utility::pointer::owning_ptr< TrisBpyScore > protocols::sic_dock::scores::TrisBpyScoreOP

typedef numeric::xyzVector< Real > protocols::sic_dock::scores::Vec

typedef utility::vector1< Vec > protocols::sic_dock::scores::Vecs

typedef Xform protocols::sic_dock::scores::Xform

typedef numeric::Xforms protocols::sic_dock::scores::Xforms

Function Documentation

static Xform const protocols::sic_dock::scores::bpybb ( CA  , N  , CA  , C    )

static

static Vec const protocols::sic_dock::scores::CBlocal ( ~bpybb *  CB )

static

Referenced by protocols::sic_dock::scores::TrisBpyScore::score_extra().

static Mat const protocols::sic_dock::scores::chiral1 ( Mat::  cols1, 0, 0, 0, 1, 0, 0, 0, 1 )

static

static Mat const protocols::sic_dock::scores::chiral2 ( Mat::  cols1, 0, 0, 0, 1, 0, 0, 0,-1 )

static

static Mat const protocols::sic_dock::scores::chiral3 ( Mat::  cols1, 0, 0, 0,-1, 0, 0, 0, 1 )

static

static Mat const protocols::sic_dock::scores::chiral4 ( Mat::  cols1, 0, 0, 0,-1, 0, 0, 0,-1 )

static

protocols::motif_hash::Real6 protocols::sic_dock::scores::get_rt6

(

Xform const &

x

)

References numeric::xyzVector< class >::x(), numeric::xyzVector< class >::y(), and numeric::xyzVector< class >::z().

Referenced by protocols::sic_dock::scores::MotifHashRigidScore::score_meta().

void protocols::sic_dock::scores::printbpy	(	std::ostream &	out,
		Xform const &	x,
		int	resi = 1000
	)

References C21, C22, C23, C24, C25, C28, C29, C30, CB, CD, CG, F, FE, I, N5, N6, R3z, and resi.

Referenced by protocols::sic_dock::scores::TrisBpyScore::dump_trisbpy().

static Mat const protocols::sic_dock::scores::R3z1 ( numeric::  z_rotation_matrix_degrees0.0 )

static

static Mat const protocols::sic_dock::scores::R3z2 ( numeric::  z_rotation_matrix_degrees120.0 )

static

static Mat const protocols::sic_dock::scores::R3z3 ( numeric::  z_rotation_matrix_degrees240.0 )

static

Variable Documentation

Vec const protocols::sic_dock::scores::C(4.775, 0.037, 2.144)

static

Referenced by protocols::sic_dock::scores::MotifHashRigidScore::MotifHashRigidScore(), and protocols::sic_dock::scores::TrisBpyScore::TrisBpyScore().

Vec const protocols::sic_dock::scores::C21(-0.325,-1.956,-6.336)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C22(0.087,-3.028,-7.100)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C23(1.133,-3.793,-6.665)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C24(1.768,-3.468,-5.482)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C25(1.336,-2.377,-4.760)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C28(3.529,-1.952,-1.749)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C29(3.015,-2.510,-2.888)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::C30(1.975,-1.875,-3.536)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::CA(3.946,-0.851, 1.187)

static

Referenced by protocols::sic_dock::scores::MotifHashRigidScore::MotifHashRigidScore(), and protocols::sic_dock::scores::TrisBpyScore::TrisBpyScore().

Vec const protocols::sic_dock::scores::CB(3.569,-0.000, 0.000)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::CD(1.984,-0.166,-1.966)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::CG(3.018,-0.767,-1.287)

static

Referenced by printbpy(), and protocols::sic_dock::scores::TrisBpyScore::score_extra().

Mat const protocols::sic_dock::scores::chiral[4] = { chiral1, chiral2, chiral3, chiral4 }

static

Referenced by protocols::sic_dock::scores::TrisBpyScore::score_extra().

Vec const protocols::sic_dock::scores::clash_coords[12] = {CB,CD,C28,N5,N6,C21,C22,C23,C24,C25,C29,C30 }

static

Referenced by protocols::sic_dock::scores::TrisBpyScore::score_extra().

Vec const protocols::sic_dock::scores::FE(0.000, 0.000,-4.157)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::N(2.649,-1.227, 1.777)

static

Referenced by protocols::sic_dock::scores::MotifHashRigidScore::MotifHashRigidScore(), and protocols::sic_dock::scores::TrisBpyScore::TrisBpyScore().

Vec const protocols::sic_dock::scores::N5(0.291,-1.619,-5.187)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::N6(1.455,-0.715,-3.073)

static

Referenced by printbpy().

Vec const protocols::sic_dock::scores::nbr[6] = { nbr1, nbr2, R3z2*nbr1, R3z2*nbr2, R3z3*nbr1, R3z3*nbr2 }

static

Referenced by protocols::sic_dock::scores::TrisBpyScore::score_extra().

Vec const protocols::sic_dock::scores::nbr1(C22)

static

Referenced by protocols::match::MatcherMover::apply(), and protocols::enzdes::ModifyStoredRBConfs::closest_orient_atoms_msd().

Vec const protocols::sic_dock::scores::nbr2(C29)

static

Referenced by protocols::match::MatcherMover::apply(), and protocols::enzdes::ModifyStoredRBConfs::closest_orient_atoms_msd().

Vec const protocols::sic_dock::scores::O(4.410, 0.106, 3.359)

static

Mat const protocols::sic_dock::scores::R3z[3] = { R3z1, R3z2, R3z3 }

static

Referenced by printbpy(), and protocols::sic_dock::scores::TrisBpyScore::score_extra().

basic::Tracer protocols::sic_dock::scores::TR("protocols.sic_dock.scores.MotifHashRigidScore")

static

basic::Tracer protocols::sic_dock::scores::TR("protocols.sic_dock.scores.TrisBpyScore")

static