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object --+
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Atom
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Inherited from |
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Inherited from |
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Atom object. The Atom object stores atom name (both with and without spaces), coordinates, B factor, occupancy, alternative location specifier and (optionally) anisotropic B factor and standard deviations of B factor and positions. @param name: atom name (eg. "CA"). Note that spaces are normally stripped. @type name: string @param coord: atomic coordinates (x,y,z) @type coord: Numeric array (Float0, size 3) @param bfactor: isotropic B factor @type bfactor: number @param occupancy: occupancy (0.0-1.0) @type occupancy: number @param altloc: alternative location specifier for disordered atoms @type altloc: string @param fullname: full atom name, including spaces, e.g. " CA ". Normally these spaces are stripped from the atom name. @type fullname: string @param element: atom element, e.g. "C" for Carbon, "HG" for mercury, @type fullname: uppercase string (or None if unknown)
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Print Atom object as <Atom atom_name>.
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Calculate distance between two atoms.
Example:
>>> distance=atom1-atom2
@param other: the other atom
@type other: L{Atom}
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Set standard deviation of atomic parameters. The standard deviation of atomic parameters consists of 3 positional, 1 B factor and 1 occupancy standard deviation. @param sigatm_array: standard deviations of atomic parameters. @type sigatm_array: Numeric array (length 5) |
Set standard deviations of anisotropic temperature factors. @param siguij_array: standard deviations of anisotropic temperature factors. @type siguij_array: Numeric array (length 6) |
Set anisotropic B factor. @param anisou_array: anisotropic B factor. @type anisou_array: Numeric array (length 6) |
Set the disordered flag to 1. The disordered flag indicates whether the atom is disordered or not. |
Set the parent residue. Arguments: o parent - Residue object |
Return the full id of the atom. The full id of an atom is the tuple (structure id, model id, chain id, residue id, atom name, altloc). |
Apply rotation and translation to the atomic coordinates.
Example:
>>> rotation=rotmat(pi, Vector(1,0,0))
>>> translation=array((0,0,1), 'f')
>>> atom.transform(rotation, translation)
@param rot: A right multiplying rotation matrix
@type rot: 3x3 Numeric array
@param tran: the translation vector
@type tran: size 3 Numeric array
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Return coordinates as Vector. @return: coordinates as 3D vector @rtype: Vector |
Create a copy of the Atom. Parent information is lost. |
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| Generated by Epydoc 3.0.1 on Tue Feb 5 17:59:53 2013 | http://epydoc.sourceforge.net |