polyheur.hpp file
Contents
- Reference
Namespaces
- namespace gemmi
Functions
- auto check_polymer_type(const ConstResidueSpan& polymer) -> PolymerType
-
auto calculate_sequence_weight(const std::
vector<std:: string>& seq, double unknown = 0.) -> double -
auto one_letter_code(const std::
vector<std:: string>& seq) -> std:: string -
auto one_letter_code(const ConstResidueSpan& polymer) -> std::
string - auto is_polymer_residue(const Residue& res, PolymerType ptype) -> bool
- auto are_connected(const Residue& r1, const Residue& r2, PolymerType ptype) -> bool
- auto are_connected2(const Residue& r1, const Residue& r2, PolymerType ptype) -> bool
- auto are_connected3(const Residue& r1, const Residue& r2, PolymerType ptype) -> bool
-
auto make_one_letter_sequence(const ConstResidueSpan& polymer) -> std::
string - auto has_subchains_assigned(const Chain& chain) -> bool
- void add_entity_types(Chain& chain, bool overwrite)
- void add_entity_types(Structure& st, bool overwrite)
- void assign_subchain_names(Chain& chain)
- void assign_subchains(Structure& st, bool force)
- void ensure_entities(Structure& st)
- auto operator==(const Entity::DbRef& a, const Entity::DbRef& b) -> bool
- void deduplicate_entities(Structure& st)
- void setup_entities(Structure& st)
-
template<class T>void remove_alternative_conformations(T& obj)
-
template<class T>void uniquify_items(std::
vector<T>& items) -
template<>void remove_alternative_conformations(Chain& chain)
-
template<class T>void remove_hydrogens(T& obj)
-
template<>void remove_hydrogens(Residue& res)
-
template<class T>void remove_waters(T& obj)
-
template<>void remove_waters(Chain& ch)
- void remove_ligands_and_waters(Chain& ch)
- void remove_ligands_and_waters(Structure& st)
- void remove_empty_chains(Model& m)
- void remove_empty_chains(Structure& st)
- auto trim_to_alanine(Residue& res) -> bool
- void trim_to_alanine(Chain& chain)