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Residue Class Reference

Based on the uniq_resid assigned in BaseMolecule, a residue knows what other residues it is connected to, and maintains a list of the atoms it contains. More...

#include <Residue.h>

List of all members.

Public Methods
	Residue (int realid, int newtype)
void	add_atom (int atomindex)
Public Attributes
int	resid
	non-unique resid from the original file. More...
signed char	residueType
	residue type code. More...
signed char	sstruct
	secondary structure for this residue. More...
int	fragment
	a fragment is a set of connect residues which are not connected to any other residues. More...
ResizeArray< int >	atoms
	list of atoms in this residue. More...

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Detailed Description

Based on the uniq_resid assigned in BaseMolecule, a residue knows what other residues it is connected to, and maintains a list of the atoms it contains.

Definition at line 41 of file Residue.h.

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Constructor & Destructor Documentation

Residue::Residue (  int    realid, int    newtype )  [inline]

Definition at line 52 of file Residue.h. References fragment, resid, residueType, SS_COIL, and sstruct.

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Member Function Documentation

void Residue::add_atom (  int    atomindex )  [inline]

Definition at line 59 of file Residue.h. References ResizeArray::append.

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Member Data Documentation

ResizeArray<int> Residue::atoms

list of atoms in this residue. Definition at line 50 of file Residue.h. Referenced by colvarproxy_vmd::check_atom_id, compoundmapper, BaseMolecule::find_atom_in_residue, PickModeForceFragment::pick_molecule_move, PickModeForceResidue::pick_molecule_move, PickModeForceFragment::pick_molecule_start, PickModeForceResidue::pick_molecule_start, PickModeMoveFragment::rotate, PickModeMoveResidue::rotate, PickModeMoveFragment::translate, and PickModeMoveResidue::translate.

int Residue::fragment

a fragment is a set of connect residues which are not connected to any other residues. Definition at line 47 of file Residue.h. Referenced by BaseMolecule::atom_fragment, AtomColor::find, and Residue.

int Residue::resid

non-unique resid from the original file. Definition at line 43 of file Residue.h. Referenced by colvarproxy_vmd::check_atom_id, and Residue.

signed char Residue::residueType

residue type code. Definition at line 44 of file Residue.h. Referenced by Residue.

signed char Residue::sstruct

secondary structure for this residue. Definition at line 45 of file Residue.h. Referenced by AtomColor::find, and Residue.

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The documentation for this class was generated from the following file:

• Residue.h

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