Package org.wallerlab.yoink.molecular.service.calculator

this package is calculate distance and center of mass.

See: Description

Class Summary

Class	Description
CenterOfMassComputer	This class is to get the center of mass for a set of molecules.
ClosestDistanceToMoleculeCalculator	This class is to calculate the closest distance between one point in space and a molecule
DistanceCalculator	This class is to calculate the distance between one point in space and an atom.
SortedDistancesCalculator	This class is to get the sortedDistances which is a Map(molecule as key and distance as value) sorted by distance in ascending way.
TwoAtomsDistanceCalculator	this class is to get the distance between two atoms
TwoCoordsDistanceCalculator	This class is to calculate the distance between two points

Package org.wallerlab.yoink.molecular.service.calculator Description

this package is calculate distance and center of mass.