Exemplo n.º 1
0
 def measure(self, structure):
     try:
         l = lookup(self.ligand, structure).center
         o1 = lookup(self.oxy1, structure).center
         o2 = lookup(self.oxy2, structure).center
         o3 = lookup(self.oxy3, structure).center
         return planePlaneNormalAngle(l, o1, o2, o3)
     except AttributeError, ae:
         print str(ae)    
Exemplo n.º 2
0
 def measure(self, structure):
     try:
         point = lookup(self.pointD, structure).center
         plane1 = lookup(self.planeD1, structure).center
         plane2 = lookup(self.planeD2, structure).center
         plane3 = lookup(self.planeD3, structure).center
         return signedPointPlaneDistance(point, plane1, plane2, plane3)
     except AttributeError, ae:
         print str(ae)