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5 #ifndef BALL_KERNEL_PROTEIN_H
6 #define BALL_KERNEL_PROTEIN_H
8 #ifndef BALL_KERNEL_CHAINITERATOR_H
12 #ifndef BALL_KERNEL_MOLECULE_H
16 #define BALL_PROTEIN_DEFAULT_ID ""
273 virtual bool isProtein()
const {
return true; }
293 virtual void dump(std::ostream& s = std::cout,
Size depth = 0)
const;
317 #endif // BALL_KERNEL_PROTEIN_H
void swap(Protein &protein)
const SecondaryStructure * getSecondaryStructure(Position position) const
BALL_EXPORT ChainList chains(const AtomContainer &fragment, bool selected_only=false)
Size countSecondaryStructures() const
void insertBefore(Atom &atom, Composite &before)
Size countResidues() const
Protein(const Protein &protein, bool deep=true)
Copy constructor.
#define BALL_PROTEIN_DEFAULT_ID
void spliceBefore(AtomContainer &atom_container)
void spliceAfter(AtomContainer &atom_container)
SecondaryStructure * getSecondaryStructure(Position position)
BALL_EXPORT bool operator!=(const String &s1, const String &s2)
const Residue * getResidueByID(String residue_ID) const
#define BALL_DECLARE_STD_ITERATOR_WRAPPER(container, type, method_name)
#define BALL_KERNEL_DEFINE_ITERATOR_CREATORS(Type)
void persistentWrite(PersistenceManager &pm, const char *name=0) const
#define BALL_CREATE_DEEP(name)
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
virtual void dump(std::ostream &s=std::cout, Size depth=0) const
Size countPDBAtoms() const
void get(Protein &protein, bool deep=true) const
virtual ~Protein()
Destructor.
void insertAfter(Atom &atom, Composite &after)
const PDBAtom * getPDBAtom(Position position) const
const String & getID() const
BALL_EXPORT SecondaryStructureList secondaryStructures(const AtomContainer &fragment, bool selected_only=false)
void splice(AtomContainer &atom_container)
Protein(const String &name, const String &id=BALL_PROTEIN_DEFAULT_ID)
Detailled constructor.
const Residue * getNTerminal() const
void persistentRead(PersistenceManager &pm)
Chain * getChain(Position position)
const Chain * getChain(Position position) const
void setID(const String &id)
BALL_EXPORT bool operator==(const String &s1, const String &s2)
void set(const Protein &protein, bool deep=true)
Residue * getResidue(Position position)
Property
The number of predefined properties for AtomContainer.
virtual bool isValid() const
PDBAtom * getPDBAtom(Position position)
const Residue * getCTerminal() const
Protein()
Default constructor.
virtual void clear()
Clears the contents of the protein.
const Residue * getResidue(Position position) const
Residue * getResidueByID(String residue_ID)