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TrisBpyScore.cc File Reference
#include <protocols/sic_dock/scores/TrisBpyScore.hh>
#include <core/pose/xyzStripeHashPose.hh>
#include <protocols/sic_dock/util.hh>
#include <basic/options/keys/sicdock.OptionKeys.gen.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <numeric/constants.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyz.io.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>
#include <utility/io/ozstream.hh>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::sic_dock
 
 protocols::sic_dock::scores
 

Functions

static basic::Tracer protocols::sic_dock::scores::TR ("protocols.sic_dock.scores.TrisBpyScore")
 
static Vec const protocols::sic_dock::scores::N (2.649,-1.227, 1.777)
 
static Vec const protocols::sic_dock::scores::CA (3.946,-0.851, 1.187)
 
static Vec const protocols::sic_dock::scores::C (4.775, 0.037, 2.144)
 
static Vec const protocols::sic_dock::scores::O (4.410, 0.106, 3.359)
 
static Vec const protocols::sic_dock::scores::CB (3.569,-0.000, 0.000)
 
static Vec const protocols::sic_dock::scores::CG (3.018,-0.767,-1.287)
 
static Vec const protocols::sic_dock::scores::CD (1.984,-0.166,-1.966)
 
static Vec const protocols::sic_dock::scores::C28 (3.529,-1.952,-1.749)
 
static Vec const protocols::sic_dock::scores::N5 (0.291,-1.619,-5.187)
 
static Vec const protocols::sic_dock::scores::N6 (1.455,-0.715,-3.073)
 
static Vec const protocols::sic_dock::scores::C21 (-0.325,-1.956,-6.336)
 
static Vec const protocols::sic_dock::scores::C22 (0.087,-3.028,-7.100)
 
static Vec const protocols::sic_dock::scores::C23 (1.133,-3.793,-6.665)
 
static Vec const protocols::sic_dock::scores::C24 (1.768,-3.468,-5.482)
 
static Vec const protocols::sic_dock::scores::C25 (1.336,-2.377,-4.760)
 
static Vec const protocols::sic_dock::scores::C29 (3.015,-2.510,-2.888)
 
static Vec const protocols::sic_dock::scores::C30 (1.975,-1.875,-3.536)
 
static Vec const protocols::sic_dock::scores::FE (0.000, 0.000,-4.157)
 
static Xform const protocols::sic_dock::scores::bpybb (CA, N, CA, C)
 
static Vec const protocols::sic_dock::scores::CBlocal (~bpybb *CB)
 
static Mat const protocols::sic_dock::scores::R3z1 (numeric::z_rotation_matrix_degrees(0.0))
 
static Mat const protocols::sic_dock::scores::R3z2 (numeric::z_rotation_matrix_degrees(120.0))
 
static Mat const protocols::sic_dock::scores::R3z3 (numeric::z_rotation_matrix_degrees(240.0))
 
static Mat const protocols::sic_dock::scores::chiral1 (Mat::cols(1, 0, 0, 0, 1, 0, 0, 0, 1))
 
static Mat const protocols::sic_dock::scores::chiral2 (Mat::cols(1, 0, 0, 0, 1, 0, 0, 0,-1))
 
static Mat const protocols::sic_dock::scores::chiral3 (Mat::cols(1, 0, 0, 0,-1, 0, 0, 0, 1))
 
static Mat const protocols::sic_dock::scores::chiral4 (Mat::cols(1, 0, 0, 0,-1, 0, 0, 0,-1))
 
static Vec const protocols::sic_dock::scores::nbr2 (C29)
 
static Vec const protocols::sic_dock::scores::nbr1 (C22)
 
void protocols::sic_dock::scores::printbpy (std::ostream &out, Xform const &x, int resi=1000)
 

Variables

static Vec const protocols::sic_dock::scores::clash_coords [12] = {CB,CD,C28,N5,N6,C21,C22,C23,C24,C25,C29,C30 }
 
static Mat const protocols::sic_dock::scores::R3z [3] = { R3z1, R3z2, R3z3 }
 
static Mat const protocols::sic_dock::scores::chiral [4] = { chiral1, chiral2, chiral3, chiral4 }
 
static Vec const protocols::sic_dock::scores::nbr [6] = { nbr1, nbr2, R3z2*nbr1, R3z2*nbr2, R3z3*nbr1, R3z3*nbr2 }