Software Catalog

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Table of Contents

• General Purpose Molecular Modeling includs multifunctional and molecular mechanics programs
• Quantum Chemistry Calculations intended mainly for molecular orbital or other quantum mechanical calculations
• Database of Molecular Structures for storage and retrieval of molecular structure data
• Molecular Graphics to visualize molecules (but not to minimize an energy)
• Quantitative Structure-Property Relationships and Statistics for Studying quantitative structure-property relationships and performing chemometric and other statistical analysis.
• Other Applications for computer-aided organic chemistry, crystallographic structure determination, scientific writing, and other computational tools of interest to chemists

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  General Purpose Molecular Modeling

  AMBER

  ASAD

  CHARMM

  Chem-X

  Chem3D Pro

  ChemApp

  ChemPlus

  CLEW

  Hingefind

  HyperChem

  HyerChem@

  HyperNMR

  MACCS-II & REACCS

  MacroModel

  MDScope

  MOIL

  Moldy

  NAMD

  Nemesis

  PMD--Scalable Parallel Molecular Dynamics Simulation

  PROPHET

  QUANTA/CHARMm

  Re-View

  SCULPT

  Chem3D Pro

  SYBYL

  VMD

  WHAT IF

  Quantum Chemistry Calculations

  CACAO

  CADPAC

  COLUMBUS Program System

  CORMA

  GAMESS

  KGNMOL

  MOLCAS

  MOLPRO

  MOPAC 93 and MOZYME

  MOPLOT2

  Naccess

  OpenMol & gOpenMol

  SCWRL.C

  UniChem

  WIZARD

  Database of Molecular Structures

  Cambridge Structural Database

  Current Facts in Chemistry

  GenBank

  ISIS

  Look

  MAG

  Protein Data Bank

  SCOP

  Molecular Graphicsy

  Ball & Stick

  CAP

  Chemscape

  FLEX

  GRASP

  Imdad

  ISIS/Draw

  Kinemage

  MidasPlus

  Molecules-3D Pro

  Nano Vision

  ORTEP

  ORTEP_for_Mac

  Pluton

  RasMol

  RASTER3D

  SciAn

  Xmol

  Quantitative Structure-Property Relationships and Statistics

  2 Dimensional Finite Difference Hartree-Fock Program

  DSSP--Definition of Secondary Structure of Proteins

  HINT

  JMP

  K2D

  MARDIGRAS--Matrix Analysis of Relaxation for Dlscerning the Geometry of an Aqueous Structure

  SigmaStat

  XNMR

  Other Applications

  Artificial Life Software

  Apex-3D

  Babel

  BBDEP96.C

  BIOPROP

  BioWorld Online

  CACTVS

  CCP4

  ChemFinder

  Chemistry 4D-Draw

  ChemStructure

  CORINA

  gluplot

  Gopher

  ISIS Add-ins

  Mathematica

  MDL Chemscape Chime

  Molecule Editor entirely written in Java

  MORASS

  Mosaic

  MOUSE

  O

  Photobase

  Platon

  XtalView