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