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Atom.h File Reference

Class containing fundamental (required) atomic properties, topology information, and associated macros. More...

#include <string.h>
#include <stdlib.h>
#include "utilities.h"

Go to the source code of this file.

Compounds
class	MolAtom
	class/struct which holds data for one atom. More...
Defines
#define	MAXATOMBONDS   12L
#define	ATOMNORMAL   0
#define	ATOMPROTEINBACK   1
#define	ATOMNUCLEICBACK   2
#define	ATOMHYDROGEN   3
#define	RESNOTHING   0
#define	RESPROTEIN   1
#define	RESNUCLEIC   2
#define	RESWATERS   3

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Detailed Description

Class containing fundamental (required) atomic properties, topology information, and associated macros.

Definition in file Atom.h.

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Define Documentation

#define ATOMHYDROGEN   3

Definition at line 52 of file Atom.h. Referenced by BaseMolecule::analyze, atomsel_backbonetype, measure_hbonds, and vmd_bond_search.

#define ATOMNORMAL   0

Definition at line 49 of file Atom.h. Referenced by BaseMolecule::analyze, atomsel_backbonetype, MolAtom::init, and PickModeAddBond::pick_molecule_end.

#define ATOMNUCLEICBACK   2

Definition at line 51 of file Atom.h. Referenced by MolAtom::add_bond, atomsel_backbonetype, and AtomColor::find.

#define ATOMPROTEINBACK   1

Definition at line 50 of file Atom.h. Referenced by MolAtom::add_bond, atomsel_backbonetype, and AtomColor::find.

#define MAXATOMBONDS   12L

Definition at line 45 of file Atom.h. Referenced by access_tcl_atomsel, MolAtom::add_bond, BaseMolecule::getbondorder, BaseMolecule::getbondtype, MolAtom::init, PickModeAddBond::pick_molecule_end, BaseMolecule::setbondorder, BaseMolecule::setbondtype, and topo_del_bond.

#define RESNOTHING   0

Definition at line 55 of file Atom.h. Referenced by atomsel_residuetype, and MolAtom::init.

#define RESNUCLEIC   2

Definition at line 57 of file Atom.h. Referenced by BaseMolecule::analyze, and atomsel_residuetype.

#define RESPROTEIN   1

Definition at line 56 of file Atom.h. Referenced by BaseMolecule::analyze, atomsel_residuetype, and write_ss_input_pdb.

#define RESWATERS   3

Definition at line 58 of file Atom.h. Referenced by atomsel_residuetype.

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