xmol::TorsionAngleFactory class
#include <xmol/ProteinTorsionAngleFactory.h>

Contents

Public types

using four_atoms = std::tuple<proxy::AtomRef, proxy::AtomRef, proxy::AtomRef, proxy::AtomRef>
using residue_to_atoms = std::function<std::optional<four_atoms>(proxy::ResidueRef&)>

Public static functions

static auto phi(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto psi(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto omega(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto chi1(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto chi2(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto chi3(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto chi4(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static auto chi5(proxy::ResidueRef& r) -> std::optional<TorsionAngle>
static void define_protein_backbone_angles(ResidueName)
static void define_protein_side_chain_angle(ResidueName, TorsionAngleName, const std::array<AtomName, 4>& names, const std::set<AtomName>& affected_atoms)
static auto get(proxy::ResidueRef& residue, const TorsionAngleName& angleName) -> std::optional<TorsionAngle>