FunGroupTK.cc File Reference

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#include <protocols/kinmatch/FunGroupTK.hh>
#include <basic/Tracer.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/kinematics/Stub.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <numeric/constants.hh>
#include <numeric/xyz.functions.hh>
#include <ObjexxFCL/format.hh>
#include <ObjexxFCL/string.functions.hh>
#include <protocols/scoring/ImplicitFastClashCheck.hh>
#include <sstream>
#include <utility/vector1.hh>
#include <core/conformation/Conformation.hh>
#include <core/kinematics/AtomTree.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::kinmatch

Macros
#define	CYS_CB_HG_DIS   2.911171
#define	CYS_SG_CB_H   0.7494478
#define	CYS_HG_SG_PRJLEN   2.088496
#define	CYS_1oSIN_CB_SG_HG   1.092026
#define	CYS_HG_SG_X_DROP   0.0998
#define	CYS_CB_SG_PERP   1.646237
#define	HIS_CB_HG_DIS   5.6570235
#define	HIS_CB_HG_PAR   3.946279
#define	HIS_CG_CB_H   0.6019999
#define	HIS_HE2_CG_PRJLEN   1.5392682574
#define	HIS_1oSIN_CA_CB_CG   1.092026358
#define	HIS_HE2_CG_X_DROP   (2.4821480185 - 0.087)
#define	HIS_CB_CG_PERP   1.371000
#define	HIS_CB_HG_DIS   5.6570235
#define	HIS_CB_HG_PAR   3.946279
#define	HIS_CG_CB_H   0.6019999
#define	HIS_HE2_CG_PRJLEN   1.5392682574
#define	HIS_1oSIN_CA_CB_CG   1.092026358
#define	HIS_HE2_CG_X_DROP   (2.4821480185 - 0.087)
#define	HIS_CB_CG_PERP   1.371000

Typedefs
typedef utility::vector1 < core::Real >	protocols::kinmatch::Reals
typedef utility::vector1 < core::Size >	protocols::kinmatch::Sizes
typedef numeric::xyzVector< Real >	protocols::kinmatch::Vec
typedef numeric::xyzMatrix< Real >	protocols::kinmatch::Mat
typedef utility::vector1< Vec >	protocols::kinmatch::Vecs

Functions
template<typename T >
std::string	protocols::kinmatch::str (T const &t)
template<typename T >
std::string	protocols::kinmatch::lzs (T const &t, int const w)
Real	protocols::kinmatch::sqr (Real const r)
Vec	protocols::kinmatch::xyz (Pose const &p, Size const &ia, Size const &ir)
PoseOP	protocols::kinmatch::alapose (Pose const &pose_in)
vector1< Size >	protocols::kinmatch::allifnone (vector1< Size > v, Size n)
void	protocols::kinmatch::dumpcgo (Vec v, string l)
void	protocols::kinmatch::xform_rsd_gl2 (Stub const &s, Residue &rsd)

Variables
static basic::Tracer	TR ("protocols.kinmatchFunGroupTK")

Detailed Description

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Macro Definition Documentation

#define CYS_1oSIN_CB_SG_HG   1.092026

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define CYS_CB_HG_DIS   2.911171

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define CYS_CB_SG_PERP   1.646237

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define CYS_HG_SG_PRJLEN   2.088496

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define CYS_HG_SG_X_DROP   0.0998

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define CYS_SG_CB_H   0.7494478

Referenced by protocols::kinmatch::KinFunGroupTK::place_c().

#define HIS_1oSIN_CA_CB_CG   1.092026358

Referenced by protocols::kinmatch::KinFunGroupTK::place_d(), and protocols::kinmatch::KinFunGroupTK::place_h().

#define HIS_1oSIN_CA_CB_CG   1.092026358

#define HIS_CB_CG_PERP   1.371000

#define HIS_CB_CG_PERP   1.371000

#define HIS_CB_HG_DIS   5.6570235

Referenced by protocols::kinmatch::KinFunGroupTK::place_d(), and protocols::kinmatch::KinFunGroupTK::place_h().

#define HIS_CB_HG_DIS   5.6570235

#define HIS_CB_HG_PAR   3.946279

#define HIS_CB_HG_PAR   3.946279

#define HIS_CG_CB_H   0.6019999

#define HIS_CG_CB_H   0.6019999

#define HIS_HE2_CG_PRJLEN   1.5392682574

Referenced by protocols::kinmatch::KinFunGroupTK::place_d(), and protocols::kinmatch::KinFunGroupTK::place_h().

#define HIS_HE2_CG_PRJLEN   1.5392682574

#define HIS_HE2_CG_X_DROP   (2.4821480185 - 0.087)

Referenced by protocols::kinmatch::KinFunGroupTK::place_d(), and protocols::kinmatch::KinFunGroupTK::place_h().

#define HIS_HE2_CG_X_DROP   (2.4821480185 - 0.087)

Variable Documentation

basic::Tracer TR("protocols.kinmatchFunGroupTK")

static