Rosetta Protocols  2014.35
Classes | Typedefs | Functions | Variables
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< RealVec
 
typedef numeric::xyzMatrix< RealMat
 
typedef utility::vector1< VecVecs
 
typedef utility::vector1< RealReals
 
typedef utility::vector1< SizeSizes
 
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 core::Real protocols::sic_dock::scores::Real

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
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)
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
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
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
Mat const protocols::sic_dock::scores::chiral[4] = { chiral1, chiral2, chiral3, chiral4 }
static
Vec const protocols::sic_dock::scores::clash_coords[12] = {CB,CD,C28,N5,N6,C21,C22,C23,C24,C25,C29,C30 }
static
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
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
Vec const protocols::sic_dock::scores::nbr1(C22)
static
Vec const protocols::sic_dock::scores::nbr2(C29)
static
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
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