utilities for fldsgn/topology More...

#include <protocols/fldsgn/topology/util.hh>
#include <protocols/fldsgn/topology/StrandPairing.hh>
#include <protocols/fldsgn/topology/SS_Info2.hh>
#include <protocols/forge/build/Interval.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/dssp/Dssp.hh>
#include <core/scoring/dssp/StrandPairing.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/EnergiesCacheableDataType.hh>
#include <core/scoring/sasa.hh>
#include <iostream>
#include <basic/Tracer.hh>
#include <map>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>
#include <utility/vector1.hh>
#include <core/pose/init_id_map.hh>

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

	protocols::fldsgn

	protocols::fldsgn::topology

Typedefs
using	String = std::string

using	VecSize = utility::vector1< core::Size >

Functions
static basic::Tracer	TR ("protocols.topology.util")

protocols::fldsgn::topology::StrandPairingSet	protocols::fldsgn::topology::calc_strand_pairing_set (core::pose::Pose const &pose, protocols::fldsgn::topology::SS_Info2_COP const ssinfo, core::Size minimum_pair_length)
	convert StrandParingSet of dssp to fldsgn::topology::StrandPairingSet More...

core::Real	protocols::fldsgn::topology::calc_delta_sasa (core::pose::Pose const &pose, utility::vector1< protocols::forge::build::Interval > intervals, Real const pore_radius)
	calc delta sasa, when a molecule is splited to 2parts. More...

core::Size	protocols::fldsgn::topology::check_kink_helix (core::pose::Pose const &pose, core::Size const begin, core::Size const end)
	check kink of helix, return number of loosen hydrogen More...

utility::vector1< core::scoring::hbonds::HBond >	protocols::fldsgn::topology::check_internal_hbonds (core::pose::Pose const &pose, core::Size const begin, core::Size const end)
	check kink of helix, return number of loosen hydrogen More...

core::Real	protocols::fldsgn::topology::calc_strand_helix_angle (core::pose::Pose const &pose, protocols::fldsgn::topology::SS_Info2_COP const ssinfo, core::Size const strand_id1, core::Size const strand_id2, core::Size const helix_id, std::string const &geom_type)

Detailed Description

utilities for fldsgn/topology

Author: Nobuyasu Koga ( nobuy.nosp@m.asu@.nosp@m.u.was.nosp@m.hing.nosp@m.ton.e.nosp@m.du )

Typedef Documentation

◆ String

using String = std::string

◆ VecSize

using VecSize = utility::vector1<core::Size>

Function Documentation

◆ TR()

static basic::Tracer TR ( "protocols.topology.util" )

static

Referenced by protocols::fldsgn::topology::calc_strand_pairing_set(), and protocols::fldsgn::topology::check_kink_helix().

Namespaces