Package org.jmol.symmetry


package org.jmol.symmetry
  • Classes
    Class
    Description
    A fully validated relatively efficient implementation of Cahn-Ingold-Prelog rules for assigning R/S, M/P, and E/Z stereochemical descriptors.
    A helper class to handle application-specific analysis and store information needed by CIPChirality and CIPDataSmiles.
    A subclass that allows Jmol processing of SMILES using "...smiles...".find("SMILES","chirality")
    An optional class to track digraph paths to decisions.
     
     
     
     
     
     
    A relatively simple space group finder given a unit cell.
     
    A class to handle requests for information about space groups and symmetry operations.
     
     
    a class private to the org.jmol.symmetry package to be accessed only through the SymmetryInterface API adds vertices and offsets orientation, and a variety of additional calculations that in principle could be put in SimpleUnitCell if desired, but for now are in this optional package.