Exemple #1
0
 def __init__(self):
     super(_Atom, self).__init__()
     #Molecular
     self._symbol = "C"
     self._serial = 1
     self._name = "default"
     self._is_het = False
     self._atom_type = "C"
     #No API
     self._occupancy = 0.0
     self._bfactor = 0.0
     self._acceptor = False
     self._donor = False
     self._formal_charge = 0
     #Rendering
     #API
     self._selected = False
     self._atom_mode = _Atom.AtomRenderingMode.BallStick
     self._labeled = False
     self._label_text = ""
     self._atom_rendering = True
     self._atom_color = Color.Clear()
     self._atom_scale = 0.5
     self._surface_rendering = False
     self._surface_color = Color.Clear()
     self._surface_opacity = 1.0
     #No API
     self._hydrogened = True
     self._watered = True
     self._het_atomed = True
     self._het_surfaced = True
     #conformer
     self._positions = [Vector3()]
     self._in_conformer = [True]
     #internal
     self._unique_identifier = _Atom._atom_count
     self._bonds = []
     self._parent = None
     _Atom._atom_count += 1
Exemple #2
0
 def __init__(self):
     super(_Residue, self).__init__()
     #molecular
     self._type = "ARG"  #RESIDUEDATA
     self._serial = 1
     self._name = "res"
     self._secondary_structure = _Residue.SecondaryStructure.Unknown
     #rendering
     self._ribboned = True
     self._ribbon_size = 1.0
     self._ribbon_mode = _Residue.RibbonMode.SecondaryStructure
     self._ribbon_color = Color.Clear()
     self._labeled = False
     self._label_text = ""
     #connections
     self._atoms = []
     self._bonds = []
     self._parent = None