SCIGRESS 2.8.1 (3.3) - release notes:
 
  • Improved MD-ME potentials selection wizard.
  • Prepare receptor for docking - step by step docking input preparation.
  • Interface to Autodock Vina.
  • Improved protein cleaning using PDB data (missing atoms and residues).
  • Solvate molecule wizard.
  • Analyze docking results visualization method.
  • Support of 3D displays for stereographic molecule representation.
  • Molecule animation for geometry optimization with MO-G and MM simulations.
  • Improved energy and gradient graph for MO-G, MM and MD-ME simulations.
  • NMR spectra from DGauss simulations.
  • Improved keyboard shortcuts for "on the fly" atom change.
  • Improvement of automatic QSAR functionality.
  • LAMMPS Minimize support.
  • Support of MOPAC2016.
  • Autodock Vina spreadsheet procedure.
  • Enhancement of installation/deinstallation process.
  • Improved online SCIGRESS licensing mechanism.
  • Bugfixing.