Last Modified

   1 January 2020

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Molecular Modeling Software: Cost-Effective De Facto Standard Molecular Modeling System


Release 8

HyperChem is a cost-effective de facto standard molecular modeling software used worldwide by chemists.

Planar drawing function for any molecules, automatic 3D function, automatic hydrogen addition function, automatic molecular force field assignment function, molecular building function for amino acid, nucleic acid, sugar, and polymer, many types of molecular mechanics, semi-empirical molecular orbital methods, quantum mechanics, density functional methods, molecular dynamics with many types of structural optimization algorithms, effective structure rendering function, scriptable function, and compatibility to many types of file formats.

HyperChem Release 8 for Window


HyperChem Release 8  HyperChem Package


For more detailed information (HyperChem Special Web Site) (Japaneae)


HyperChem - A Sophisticated Molecular Modeling Environment -


Excellent Molecular Modeling Functions

   Unique Molecular Drawing System such as drawing on paper with a pencil

   Molecular Cut & Paste Functions

   Automatic 3D Function of molecular formula

   Automatic Protonation Function

   Automatic Force Field Parameter Setting Function

   Amino Acid, Nucleic Acid, Sugar, Polymer, and Crystal Edit Functions

   RMS Fitting and  Molecular Overlay Functions

   Conformation Search Function


Comprehensive Computational Chemistry Environment

   Molecular Mechanics

      MM+, Ambers, Amber2, Amber3, Amber94, Amber96, Amber99, Bio+83, Bio+85, Charmm-19, Charmm-22, Charmm-27, Opls, Custom

   Semi-empirical Molecular Orbital Theory

      Extended Huckel, CNDO, INDO, MINDO3, MNDO, MNDO/d, AM1, PM3, RM1, ZINDO/1, ZINDO/s, TNDO

   Ab Initio Molecular Orbital Theory

      Hartree-Fock, MP2, CI

   Density Functional Theory

   Single-Point Calculations

   Geometry Optimization Calculations

   Molecular Dynamics

      Molecular Dynamics, Langevin Dynamics, Monte Carlo

   Minimization Algorithm

      Steepest Descents, Flecher-Reeves, Polak-Ribiere, Eigenvector Following, Newton-Raphson, Conjugate Directions

   Vibration Analysis

   Transition State Analysis

   NMR Analysis



Various Rendering Functions

   Selective Display Function

   Custom Coloring Function

   Labeling Functions

      Symbol, Name, Number, Type, Charge, Spin, Mass, Chirality, Basis Set, RMS Gradient, Residue Name, Residue Number, Residue Name+Number, Bond Length, Bond Order, Custom

   Molecular Display

      Stick, Ball, Ball & Stick, CPK, Tube, Dot

   Molecular Orbital, Electrostatic Potential, Electron Density, and Spin Density Maps

      2D, 3D, Mesh, Jorgensen-Salem, Line, Flat, Shaded Surface, Gouraud Shaded Surface, Translucent Surface

   Hydrogen Bonding

   Dipole Moment

   OpenGL Secondary Structure and Ribbon Display

   Reaction Coordinate, NMR, and Vibration Charts


Development Environment

   HCL (HyperChem Command Language) Scriptable

   C, C++, Fortran, Tcl/Tk, and DDE Scriptable (for Windows version only)



   PDB, ENT, Cartesian, Z-Matrix, ISIS, MDL, TRIPOS, ChemDraw


Recommended Minimum System Requirements

Processor: Intel Core or Xeon (1GHz recommended) (Pentium III, Celeron, or later)

Operating System:

Microsoft: Windows 7, 8.x, and 10 (32 bit or 64 bit (WOW64) version) (Windows 95 or later)

Mac: MacOS X, OS X, macOS10.x*


Memory (RAM): 2 GB or larger (recommended) (more than 256 MB)

HD: 128 GB or larger (recommended) (300 MB for storage);

Other: CD-ROM drive; Keyboard (touch monitor is also available); Mouse

* Warnings: Mac and Linux versions depend on the version of operating system. Please confirm the compatibility to your environment using Evaluation version.

HyperChem Release 8 Feature

See also Hypercube, Inc. for details.

Hypercube, Inc.


Order Information



HyperChem Full Version for Evaluation

Download site of Evaluation versions


HyperChem8 Multi-Thread


HyperChem for Everyone


HyperChem Conformation Search


HyperChem Protein Modeling & Simulations



* HyperChem is a registered trademark of Hypercube, Inc.



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