- getDistance
calculate distance between two atoms.
- rotate
- shift
Shift an array of atoms at once.
- add
add two atoms ( a + b).
- amount
Gets the length of the vector (2-norm)
- angle
Gets the angle between two vectors
- atomsToPoints
Convert an array of atoms into an array of vecmath points
- calcRotationAngleInDegrees
Calculates the angle from centerPt to targetPt in degrees. The return should
range from [0,360), rot
- centerAtoms
Center the atoms at the Centroid, if the centroid is already know.
- centerOfMass
Returns the center of mass of the set of atoms. Atomic masses of the Atoms are
used.
- createVirtualCBAtom
creates a virtual C-beta atom. this might be needed when working with GLY thanks
to Peter Lackner fo
- getCenterVector
Returns the Vector that needs to be applied to shift a set of atoms to the
Centroid, if the centroid