Class TorsionScan


public class TorsionScan extends AlgorithmsCommand
The TorsionSearch command enumerates conformations of a molecule using torsional scans around rotatable bonds.
Author:
Aaron J. Nessler, Matthew J. Speranza, Michael J. Schnieders
Usage:
ffxc TorsionSearch <filename>
  • Constructor Details

    • TorsionScan

      public TorsionScan()
    • TorsionScan

      public TorsionScan(FFXBinding binding)
    • TorsionScan

      public TorsionScan(String[] args)
  • Method Details