gemmi::LinkHunt struct
#include <gemmi/linkhunt.hpp>

Contents

Public types

struct Match

Public functions

void index_chem_links(const MonLib& monlib)
auto match_link_side(const ChemLink::Side& side, const std::string& resname) const -> bool
auto find_possible_links(Structure& st, double bond_margin, double radius_margin, ContactSearch::Ignore ignore) -> std::vector<Match>

Public variables

double global_max_dist
std::multimap<std::string, const ChemLink*> links
std::unordered_map<std::string, ChemLink::Group> res_group