#include <chain_impl.hh>
Inherits ost::GenericPropContainerImpl.
Definition at line 41 of file chain_impl.hh.
| ChainImpl | ( | const EntityImplPtr & | e, | |
| const String & | name | |||
| ) |
| ResidueImplPtr AppendResidue | ( | const ResidueKey & | k, | |
| const ResNum & | n | |||
| ) |
Append residue at end of chain.
| ResidueImplPtr AppendResidue | ( | const ResidueKey & | k | ) |
Append residue at end of chain.
Residue number will be automatically set to last+1. The first residue will have the number 1. insertion code from a previous residue are copied.
| ResidueImplPtr AppendResidue | ( | const ResidueImplPtr & | res | ) |
append new residue with exactly the same parameters as res, but no atoms and bonds
| void Apply | ( | EntityVisitor & | v | ) |
| void AssignSecondaryStructure | ( | SecStructure | ss, | |
| const ResNum & | start, | |||
| const ResNum & | end | |||
| ) |
| void DeleteAllResidues | ( | ) |
| void DeleteResidue | ( | const ResidueImplPtr & | residue | ) |
| void DeleteResidue | ( | const ResNum & | number | ) |
| AtomImplPtr FindAtom | ( | const ResNum & | number, | |
| const String & | atom_name | |||
| ) | const |
| ResidueImplPtr FindResidue | ( | const ResNum & | number | ) | const |
Get residue by number. Returns a invalid pointer if the chain does not have any residue with this number.
| int GetAtomCount | ( | ) | const |
Get number of atoms of this chain.
| int GetBondCount | ( | ) | const |
Get number of bonds of this chain.
| geom::Vec3 GetCenterOfAtoms | ( | ) | const |
| geom::Vec3 GetCenterOfMass | ( | ) | const |
| EntityImplPtr GetEntity | ( | ) | const |
| geom::Vec3 GetGeometricCenter | ( | ) | const |
| geom::Vec3 GetGeometricEnd | ( | ) | const |
| geom::Vec3 GetGeometricStart | ( | ) | const |
| int GetIndex | ( | const ResNum & | number | ) | const |
| Real GetMass | ( | ) | const |
| String GetName | ( | ) | const |
| ResidueImplPtr GetNext | ( | const ResidueImplPtr & | r | ) | const |
previous residue, not necessarily in sequence
| ResidueImplPtr GetPrev | ( | const ResidueImplPtr & | r | ) | const |
| int GetResidueCount | ( | ) | const |
Get number of residues of this chain.
| ResidueImplList& GetResidueList | ( | ) | [inline] |
Definition at line 77 of file chain_impl.hh.
| const ResidueImplList& GetResidueList | ( | ) | const |
| bool InSequence | ( | ) | const |
whether the residue numbers are in ascending order
| ResidueImplPtr InsertResidueAfter | ( | int | index, | |
| const ResNum & | n, | |||
| const ResidueKey & | k | |||
| ) |
| ResidueImplPtr InsertResidueBefore | ( | int | index, | |
| const ResNum & | n, | |||
| const ResidueKey & | k | |||
| ) |
| void SetName | ( | const String & | new_name | ) |
1.5.8