gemmi::SmallStructure::Site struct
#include <gemmi/small.hpp>

Reference
- Public functions
- Public variables

Public functions

auto orth(const gemmi::UnitCell& cell_) const -> Position

Public variables

std::string label
std::string type_symbol
Fractional fract
double occ
double u_iso
SMat33<double> aniso
int disorder_group
Element element
signed char charge

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gemmi::SmallStructure::Site struct #include <gemmi/small.hpp>

Contents

Public functions

Public variables

gemmi::SmallStructure::Site struct
#include <gemmi/small.hpp>