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Subsections


Atom

Files: Atom.h
Derived from: none
Global instance (if any): none
Used in optional component: Part of main VMD code

Description

An Atom object stores the data for a single atom in a molecule. Each atom has the following information: Each BaseMolecule contains a list of these Atom objects.

Constructors

Enumerations, lists or character name arrays

Each atom has a set of `extra' data values, other than it's position. The codes used as indices for these extra data values are:

The BackboneType enumeration lists the different types of backbone bonds which may exist:

The ResidueType enumeration lists the different classes of residues which this atom may be a part of:

Internal data structures

Nonvirtual member functions

Method of use

To create a new Atom, you specify all the names in the constructor, and then add the bonds to the atom one at a time using the add_bond routine. Later, when the molecular structure has been analyzed, the flags indicating the residue type, fragment index, etc. must be set (they are currently public members, so they can be accessed directly).


next up previous contents
Next: BaseMolecule Up: Molecule objects Previous: Animation   Contents
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