Links to Downloadable Chemistry Software Sources
Below are some sites, listed alphabetically by provider, that have free or demo chemistry software for downloading.
There is also a long list of chemistry software links at Trinity University Cheminformatics Site
Create and visualize 3D molecular structures, analyze chemical features, and create
stunning, interactive reports and presentations.
Available for free to all academic, government and commercial researchers.
FREE Plug-ins/Extensions are available for various products such as :-
- ACD/3D
Viewers for ISIS/Base and ISIS/Draw
3D Viewers for ISIS/Base and ISIS/Draw - install via the ISIS Add-in Manager
- converts 2D structures in to 3D. (Windows only)
- ACD/Labs
Extension for ChemDrawACD/Labs Extension for ChemDraw makes ACD/Labs'
prediction and naming tools available using the Cambridgesoft's ChemDraw package
as the structure drawing interface.
Basic property prediction tools including Molar Volume, Parachor, Index of
Refraction, Surface Tension, Density, Dielectric Constant, Polarizability.
Note The ACD/Labs extension can work with 32-bit Windows versions of CS ChemDraw
only.
- NMR
Viewers
CNMR and HNMR Viewere available. Allows the import and display of JCAMP-DX,
Varian FIDs and phasefiles, Bruker FIDs and 1r files, NUTs format files, Galactic
SPC format and ACS/ESP files.
(requires ChemSketch)
- ChemSketch
Goodies!
22 Additional buttons that considerably extend ChemSketch functionality such
as a sketch-to-VRML converter; sugar builder; peptide builder; SDF translator
and more! (Windows only)
- ChemBasic
for ChemSketch
Programming language similar to Basic for chemists to create their own customized
applications. (Windows only)
free for
academic teaching and research (more information
and signup)
- Marvin
- MarvinSketch: for 2D/3D editing chemical structures, reactions and queries.
- MarvinView: for viewing 2D/3D chemical structures, reactions and queries.
- MarvinSpace: for visualizing 3D macromolecules and surfaces
- Calculator
Plugins for prediction of various properties
based on structure,
- JChem
Base for
structure and reaction searching and
database handling,
- Instant
JChem
desktop application for local and remote structure database management,
search and prediction
- JChem
Cartridge for Oracle® database integration,
- Standardizer
for structure canonicalisation,
- Reactor
for structure transformations and library enumeration,
- Screen
for pharmacophore and structure based screening,
- JKlustor
for clustering and diversity analysis,
- Fragmenter
for fragmentation and R-Group decomposition
Chemistry 4-D Draw
Chemistry 4-D Draw Modules avaialable
NamExpert
Understands IUPAC nomenclature rules.
Nomenclator
Chem4D Database
Manages databases of molecular structures, graphics and information associated with the data. It helps you to search and reuse graphics you have created.
CHEMSKETCH
A structure drawing package (Windows only) used by Advanced Chemistry Development
Inc. to interface to their NMR and physical property prediction software. The
FREE Chemsketch software includes:
a 3D viewer and
a Tautomer identifier
ISIS/Draw
Structure drawing and presentation package (FREE for academic and home use)
Spartan from Wavefunction Inc. combines a powerful set of molecular modelling and Visualisation tools with calculation tools for Quantum Chemistry, Spectroscopy, Molecular Mechanics and Properties of molecules. It also contains links to databases such as CSD and PDB, and ChemDraw may now be directly accessed from within Spartan (Windows users only).
Table of the Elements
Multifunctional periodic system and the chemical calculator, designed for
use by individuals ranging from students of chemistry, chemistry hobbyists, industry
professionals, and academic researchers as well as instructors of chemistry. Win
95/98/NT
Computer Assisted Learning in Chemistry - CHEMIX
CHEMIX is an interactive educational software tool developed by a chemist
(and teacher) for students, teachers and chemists. As a stand-alone product it
covers a wide range of topics in the field of chemistry.
FTP Sites
CTI Centre for Chemistry at Liverpool Archive