gemmi::Atom struct
#include <gemmi/model.hpp>

Contents

Public static functions

static auto what() -> const char*

Public functions

auto altloc_or(char null_char) const -> char
auto same_conformer(const Atom& other) const -> bool
auto same_group(const Atom& other) const -> bool
auto has_altloc() const -> bool
auto b_eq() const -> double
auto is_hydrogen() const -> bool

Public variables

std::string name
char altloc
signed char charge
Element element
char flag
int serial
Position pos
float occ
float b_iso
SMat33<float> aniso