Class GhemicalMMReader

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

public class GhemicalMMReader extends AtomSetCollectionReader
Reads Ghemical ( http://www.uku.fi/~thassine/ghemical) molecular mechanics (*.mm1gp) files. !Header mm1gp 100 !Info 1 !Atoms 6 0 6 1 6 2 1 3 1 4 1 5 1 !Bonds 5 1 0 D 2 0 S 3 0 S 4 1 S 5 1 S !Coord 0 0.06677 -0.00197151 4.968e-07 1 -0.0667699 0.00197154 -5.19252e-07 2 0.118917 -0.097636 2.03406e-06 3 0.124471 0.0904495 -4.84021e-07 4 -0.118917 0.0976359 -2.04017e-06 5 -0.124471 -0.0904493 5.12591e-07 !Charges 0 -0.2 1 -0.2 2 0.1 3 0.1 4 0.1 5 0.1 !End
Author:
Egon Willighagen invalid input: '<'egonw@sci.kun.nl>
  • Constructor Details

    • GhemicalMMReader

      public GhemicalMMReader()
  • Method Details