Class HyperChemReader

java.lang.Object
org.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.simple.HyperChemReader
All Implemented Interfaces:
GenericLineReader

public class HyperChemReader extends AtomSetCollectionReader
Support for .hin, HyperChem's native file format. http://www.hyper.com

Record format is: atom 1 - C ** - -0.06040 0.00000 0.00000 0.00000 3 2 a 6 a 38 s ... atom 67 - H ** - 0.17710 -7.10260 -3.74840 2.24660 1 34 s endmol 1 interesting fields are partialCharge, x, y, z, bondCount
bonds are atom number and s/d/t/a for single/double/triple/aromatic

  • Constructor Details

    • HyperChemReader

      public HyperChemReader()
  • Method Details