metrics.cc File Reference

Routines to measure antibodies. More...

#include <protocols/antibody/metrics.hh>
#include <protocols/antibody/AntibodyInfo.hh>
#include <protocols/antibody/AntibodyEnum.hh>
#include <protocols/antibody/AntibodyEnumManager.hh>
#include <basic/MetricValue.hh>
#include <basic/Tracer.hh>
#include <core/pose/metrics/simple_calculators/SasaCalculatorLegacy.hh>
#include <core/pose/metrics/CalculatorFactory.hh>
#include <core/pose/Pose.hh>
#include <core/conformation/Residue.hh>
#include <core/scoring/sasa.hh>
#include <numeric/PCA.hh>
#include <numeric/xyz.functions.hh>
#include <numeric/xyzVector.io.hh>
#include <utility/vector1.hh>

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

Functions
vector1< Real >	protocols::antibody::vl_vh_orientation_coords (const core::pose::Pose &pose_in, const protocols::antibody::AntibodyInfo &ab_info)
	calculate the VH_VL packing angle from 2 sheet definitions on each antibody chain More...
std::pair< core::Real, core::Real >	protocols::antibody::kink_dihedral (const core::pose::Pose &pose, const protocols::antibody::AntibodyInfo &ab_info, bool debug)
core::Real	protocols::antibody::kink_bb_Hbond (const core::pose::Pose &pose, const protocols::antibody::AntibodyInfo &ab_info)
core::Real	protocols::antibody::kink_RD_Hbond (const core::pose::Pose &pose, const protocols::antibody::AntibodyInfo &ab_info)
core::Real	protocols::antibody::kink_Trp_Hbond (const core::pose::Pose &pose, const protocols::antibody::AntibodyInfo &ab_info)
std::pair< core::Real, core::Real >	protocols::antibody::paratope_sasa (const core::pose::Pose &pose, const protocols::antibody::AntibodyInfo &ab_info)
	calculate the SASA of the antibody paratope More...
core::SSize	protocols::antibody::pose_charge (core::pose::Pose const &pose)
	calculate the net charge of the antibody More...
core::SSize	protocols::antibody::paratope_charge (core::pose::Pose const &pose, const protocols::antibody::AntibodyInfo &abinfo)
	calculate the net charge of the paratope More...

Variables
static basic::Tracer	TR ("antibody.metrics")

Detailed Description

Routines to measure antibodies.

Author

Jeffrey J. Gray

Oana Lungu

Nick Marze

Jeffrey J. Gray

Variable Documentation

basic::Tracer TR("antibody.metrics")

static

Referenced by protocols::antibody::kink_bb_Hbond(), protocols::antibody::kink_dihedral(), protocols::antibody::kink_Trp_Hbond(), protocols::antibody::paratope_charge(), protocols::antibody::paratope_sasa(), and protocols::antibody::pose_charge().