Class DistanceBasedMetalloceneFixer

  • All Implemented Interfaces:

    public class DistanceBasedMetalloceneFixer
    extends AbstractStructureFixer
    A descendant of AbstractStructureFixer which converts incorrectly drawn metallocenes into multicenter based coordinate bond representation. The upper and lower bound of the "sandwich" structure will be determined by the euclidean distance from the metal ion.
    Marvin 5.4
    • Constructor Detail

      • DistanceBasedMetalloceneFixer

        public DistanceBasedMetalloceneFixer()
    • Method Detail

      • fix

        public boolean fix​(StructureCheckerResult result)
        Description copied from interface: StructureFixer
        Fixes one molecule problem identified by the result
        result - is an instance of StructureCheckerResult which identifies the problem
        true if the fix was successful false otherwise