Last Updated: October 1st, 2016
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# Twenty packages have been downloaded every day on average, and 460 single licenses and 36 annual ones have been purchased as of Sep 13, 2016

Modeling
  • Basic Modeling
  • Clean (Easy Structure Optimization by MM)
  • Conformation Search by Balloon
  • SMILES Import
Presentation
  • 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
  • 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
  • (#1) Common functions in any version
  • (#2) Only available in QM pack
  • (#3) Only available in MD pack
  • (#4) Only available in Solid pack