Atom Object
 
constructor:
 
  Atom(simulation,index)
 
    references the specified atom in the given simulation. Note that the
index is 0-offset, unlike XPLOR's id specifier (which is 1-offest).
 
The following methods return the constructor arguments:
 
  simulation()
  index()
 
The following accessor methods are defined:
 
  string()      - a unique descriptive string
  segmentName() 
  residueName() - residue name (e.g. 'ALA')
  atomName()    - atom name (e.g. 'HN')
  chemType()    - chemical type used for type-based parameters
  residueNum()  - residue number (note that this is an integer)
  pos()         - a vec3.Vec3 describing Cartesian position
  vel()         - a Vec3 describing Cartesian velocoty
  mass()        - atomic mass
  fric()        - friction used for bath-coupling by dynamics engines
  charge()      - atomic partial charge.
 
The above functions get the named quantities. These quantities may be
set using functions named setQuantity(arg), where Quantiy is the
appropriate name and arg is the desired new value.
 
Additionally, there is the following function:
 isValid() - specifying whether the atom pos has been set.
 
 
 
# This file was created automatically by SWIG.
# Don't modify this file, modify the SWIG interface instead.
# This file is compatible with both classic and new-style classes.

Classes
		__builtin__.object Atom AtomPtr   class Atom(__builtin__.object)           Methods defined here: __del__(self, destroy=<built-in function delete_Atom>)   __eq__(self, other)   __getattr__ lambda self, name   __init__(self, *args)   __repr__(self)   __setattr__ lambda self, name, value   atomName(*args)   charge(*args)   chemType(*args)   fric(*args)   help(*args)   index(*args)   isValid(*args)   mass(*args)   pos(self)   pos_ref(*args)   residueName(*args)   residueNum(*args)   segmentName(*args)   setAtomName(*args)   setCharge(*args)   setChemType(*args)   setFric(*args)   setMass(*args)   setPos(*args)   setResidueName(*args)   setResidueNum(*args)   setSegmentName(*args)   setVel(*args)   simulation(*args)   string(*args)   vel(self)   vel_ref(*args)   Data and other attributes defined here: INVALID_COORD = 9999.9989999999998 __dict__ = <dictproxy object at 0x24cca98>   dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Atom' objects>   list of weak references to the object (if defined)   class AtomPtr(Atom)           Method resolution order: AtomPtr Atom __builtin__.object Methods defined here: __init__(self, this)   Methods inherited from Atom: __del__(self, destroy=<built-in function delete_Atom>)   __eq__(self, other)   __getattr__ lambda self, name   __repr__(self)   __setattr__ lambda self, name, value   atomName(*args)   charge(*args)   chemType(*args)   fric(*args)   help(*args)   index(*args)   isValid(*args)   mass(*args)   pos(self)   pos_ref(*args)   residueName(*args)   residueNum(*args)   segmentName(*args)   setAtomName(*args)   setCharge(*args)   setChemType(*args)   setFric(*args)   setMass(*args)   setPos(*args)   setResidueName(*args)   setResidueNum(*args)   setSegmentName(*args)   setVel(*args)   simulation(*args)   string(*args)   vel(self)   vel_ref(*args)   Data and other attributes inherited from Atom: INVALID_COORD = 9999.9989999999998 __dict__ = <dictproxy object at 0x24cc8d8>   dictionary for instance variables (if defined) __swig_getmethods__ = {} __swig_setmethods__ = {} __weakref__ = <attribute '__weakref__' of 'Atom' objects>   list of weak references to the object (if defined)

Functions
		help(...)

Data
		__package__ = None cvar = <Global variables> pyXplorHelp = Type help() for interactive help, or help(object) for help about object.