maptial.geo.geocalculator

module documentation

Undocumented

Function	`crossProduct`	Undocumented
Function	`getAngle`	param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom param: x3,y3,z3= the coordinates of the third atom returns: angle between atoms and details of the calculation...
Function	`getDihedral`	param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom param: x3,y3,z3= the coordinates of the third atom param: x4,y4,z4= the coordinates of the fourth atom returns: angle between atoms and details of the calculation...
Function	`getDistance`	param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom returns: distance between atoms and details of the calculation
Function	`getMagnitude`	Undocumented

def crossProduct(A, B): ¶

Undocumented

def getAngle(x1, y1, z1, x2, y2, z2, x3, y3, z3): ¶

param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom param: x3,y3,z3= the coordinates of the third atom returns: angle between atoms and details of the calculation

def getDihedral(x1, y1, z1, x2, y2, z2, x3, y3, z3, x4, y4, z4): ¶

param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom param: x3,y3,z3= the coordinates of the third atom param: x4,y4,z4= the coordinates of the fourth atom returns: angle between atoms and details of the calculation

def getDistance(x1, y1, z1, x2, y2, z2): ¶

param: x1,y1,z1= the coordinates of the first atom param: x2,y2,z2= the coordinates of the second atom returns: distance between atoms and details of the calculation

def getMagnitude(x, y, z): ¶

Undocumented