Last Updated: August 20th, 2017
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# Twenty packages have been downloaded every day on average, and 549 single licenses and 39 annual ones have been purchased as of Apr 12, 2017

Molecular Modeling
MO Electron Density
Electorn density Electro-Static Potential
Point Group Analysis
Protein/Ligand system
High/Low Molecule Blends
High Molecule Polymer in the bubble
Crystal Builder
Cleaving Plane
Interface Builder
Adsorption model
Conformer search
Band diagram
Work function
  • Basic Modeling
  • Clean (Easy Structure Optimization by MM)
  • Conformation Search by Balloon
  • SMILES Import
  • 3D printing using OpenSCAD
  • Ray tracing using POV-Ray
  • GIF animation
  • Display for patent application
Molecular Shape Analysis
  • Molecular Surface/Volume/Ovality
  • Aspect Ratio/Radius of gyration
  • Sterimol Parameters
  • Point Group Analysis for visualization
Semi-empirical QM
  • MOPAC Interface including MOPAC6
  • Energy Level/MO/Charge
  • Dipole/Transition Moment
  • Reaction Coordinate Analysis
  • UV/Vis Spectra by CNDO/S
Job Management System
  • Remote Job Submission I/F
  • Local Job Manager
QM pack
  • UV/Vis Spectra
  • Raman/IR, NMR Spectra
  • GAMESS/Firefly Interface
  • NWChem Interface
  • Gaussian Interface
  • CONFLEX Interface
  • PIO Interface
  • Point Group Analysis for symmetrization and extraction of asymmetric elements
MD pack
  • Gromacs Interface
  • LAMMPS Interface
  • Amber Interface
  • CONFLEX Interface
  • QM/MM MD Calculation
  • LAMMPS data converter for Gromacs analytic tools
  • Polymer Builder
  • Interface Builder
  • Free Energy Calculation (ER,BAR)
  • DPD Calculation
Solid pack
  • Crystal Builder
  • Cleave Plane
  • Slab created by vacuum insertion
  • Quantum ESPRESSO Interface
  • FDMNES (XAFS Spectra) Interface
  • ab Initio MD
  • Band,DOS
  • Work Function
  • ESM Calculation
  • (※) Common functions in any version