New teaching software: chemistry
is a free chemical database software, very unique of its kind.
is a collaborative
grid framework to support computational chemistry applications. It is
meant to be used as a tool to facilitate massive grid calculations and
also to improve scientific collaboration. Accordingly, GriF facilitates
profiling the users of grid communities in order to systematically
evaluate the work carried out in a grid and to foster its
is an open
source, CAPE-OPEN compliant chemical process simulator written in
VB.NET, with advanced thermodynamic calculations, reactions support,
petroleum characterization tools and a fully-featured graphical
interactive chemical molecule sketching tool, and molecular spreadsheet
data entry application. The feature set provided by the molecular
sketcher is largely limited to the minimum features required to
conveniently edit diagram representations of small molecule structures.
Toolbars, templates, mouse gestures, keyboard shortcuts, utility
commands and several view modes are offered in order to make this as
convenient as possible. Molecules can be easily interconverted with the
ubiquitous MDL MOL file format, though not not necessarily without
information loss. Molecule diagrams are rendered interactively in high
quality, and can also be exported as SVG graphics.
Add-in for Word
is a free interactive reference tool on the periodic table
this free Organic Chemistry Analysis and Visualisation Tool you can
write chemical formulas and let the computer calculate the
threedimensional structure of the molecule, compute atomic properties
and export your results as image or video files.
performs stochastic and deterministic simulations of chemical
reactions. It can spawn multiple simulation processes to utilize
multi-core computers. It stores models, simulation parameters, and
simulation results (populations and reaction counts) in an XML format.
In addition, SBML models can be imported and exported. The models and
simulation parameters can be read from input files or edited within the
program. Solvers are implemented as command line executables, which
makes it easy to launch batch jobs and simplifies the process of adding
new solvers. Solvers include Gillespie's direct method, Gillespie's
first reaction method, Gibson and Bruck's next reaction method,
Tau-leaping, and Hybrid direct/tau-leaping.
- Open Babel
community-driven scientific project including both cross-platform
programs and a developer library designed to support molecular
modeling, chemistry, and many related areas, including interconversion
of file formats and data.
Free software for drawing lab diagrams.
ChemToolBox, the swiss army knife of the lab worker, is a freeware
which contains numerous scientific data very useful in a
laboratory. ChemToolBox will easily substitute to the
time-consuming use of scientific books (such as Handbooks) or online
software application for modeling and simulation of biochemical
networks. The software package has a GUI that lets users define
biochemical network models by entering chemical reactions and kinetic
equations. A powerful simulation engine can then perform simulations of
the dynamics of the networks and carry out many different computational
analyses. COPASI can simulate dynamics using either an ODE approach or
a stochastic chemical kinetics approach (Gillespie-type algorithms).
- The Chemical
aims to provide a complete set of 3D molecular structures in CML
format. As CML format permits structural data and many properties to be
included, each file also contains additional information, like
molecular weight, boiling point, melting point, or InChI code. Data can
be explored with a CML-aware software, like Jmol, or by using a Web
is a freeware program for the calculation of molecular masses and
chemical analyses of compounds. It was written with the organic chemist
Avogadro is an advanced molecular editor designed for cross- platform
use in computational chemistry, molecular modeling, bioinformatics,
materials science, and related areas. It offers a flexible rendering
engine and a powerful plugin architecture.
visualizes atomic structures such as crystals, grain boundaries,
molecules, and so on It can work with files either in binary format or
in plain text format. The rendering is done in pseudo-3D with colored
spheres to represent the atoms. The user can interact through many
functions to choose the view, the size of the atoms, their color, the
background color, the type of fog, and more. Moreover, V_Sim allows you
to export the view as images in GIF, PS, and other formats.
is a cheminformatics library which supports SMARTS substructure search,
descriptor calculation, processing/filtering pipes, and conversion of
different chemical file formats. It is written in 100% pure Java, and
interfaces to external programs (e.g. Ghemical) are available.
is an intelligent tool for managing chemical inventories. You can find
chemicals via substructure or text searches, manage container and shelf
locations, check containers in and out, or transfer containers between
- Bioclipse is
a rich-client platform chemistry and biology workbench. It provides
access to many open source bioinformatics and chemoinformatics toolkits
and has plugins for the Chemistry Development Kit, JChemPaint, Jmol,
- BKchem is a chemical drawing
program written in Python.
is a graphical artificial chemistry simulator for Linux and Windows.
The program enables a chemistry to be defined in terms of molecule
types and the possible interactions between them. A simulation run
involves setting up a number of molecules of various molecule types in
a reactor, and then allowing interactions to take place over a period
of time. Interactions taking place in the reactor are shown on a
graphical display. The motivation for development of the program is to
enable investigations into the behaviour of networks, particularly in
relation to 'metabolism first' theories of the origin of life, although
the basic design supports modeling of any network in which interactions
can take place between nodes.
is a Free, Open Source molecule viewer and editor. It is a
collaboratively developed visualization and measurement tool for
chemical scientists. Jmol is an active project, and there are new
features being added to it on a daily basis. Users are encouraged to
modify it to fit their needs and to contribute their changes to the
- Molecular Workbench
Open-source modeling program that was specifically designed for use in
- JChemPaint is a program for
drawing 2D chemical structures like those found in most chemistry
- Isotopic Pattern Calculator
IPC (Isotopic Pattern Calculator) is a tool for mass spectrometry that
calculates the isotopic distribution of a given chemical formula or
peptide sequence. It uses gnuplot to visualize the results.
- Periodic Table
Get vast information regarding all the elements of the modern Periodic
Table. This Periodic Table contains the following ...
- Chemistry,Physics,Organic Chem Tutorials. DEMO
MCH Science Tutorial Player v1.1 contains several demos
of our Chemistry, Physics and Organic multimedia tutorials.
They are targeted toward the senior high school level and undergraduate
Written and developed by Dr. Bryan Sanctuary of McGill University,
Canada, the tutorials are presented in detail with a focus on the
concepts of Science, with voice walk-throughs and interactive movies
throughout. Also included is a table of contents,
hyper-linked topics, glossary and keyword searches, flexible plotting,
drag and drop exercises, quizzes and feedback.
Demo. Uploaded by the author. Adam Halstead, MCH Multimedia
Inc., firstname.lastname@example.org, http://www.mchmultimedia.com/.
- Molecules-3D: 3D molecular model-builder
Designed for students and technical experts, Molecules-3D
enables you to build, examine, modify, and transfer 3D models and
sophisticated 3D graphic images into other applications. This latest
version of Molecules-3D offers many new features including: an
expandable Structure Library of over 200 common and important 3D
molecular structures; Coach Lewis to guide you through a process for
building accurate Lewis diagrams; illustrated documentation;
customizable molecular parameter settings; 1-button Wire-frame,
Ball-and-Stick, and Spacefill rendering; plus expanded menu access to
Molecules-3D's many other features. If an imperfect structure is built,
Molecules-3D includes tools for quick cleanup. The Molecular Syntax
Checker identifies both real and potential structural problems. The
Visual 3D Editor enables rapid evaluation and interactive adjustment of
molecular geometries. And 3D Cleanup provides a fast evaluation of
molecular geometries and forces, automatically adjusting atom positions
to provide more accurate conformations.
Shareware. Phil Stevens, Molecular Arts Corporation,
- ChemLab for Windows: Interactive simulation of a
ChemLab for Windows is an interactive simulation of a
chemistry lab.Commonly used lab equipment and procedures are employed
to simulate thesteps involved in performing a chemistry lab experiment.
Types of lab equipmentinclude: beaker, Buchner funnel, bunsen burner,
buret, erlenmeyer flask,florence flask, evaporation dish, graduated
cylinder, test tube, watchglass and calorimeter. Types of lab
procedures include: titration, decanting,filtering, heating, hot and
cold water baths, mixing, measuring temperatureand weight, use of an
indicator, measuring pH, collecting gases, labelingof equipment and
others. ChemLab allows users to quickly perform chemistrylabs, while
emphasizing the critical principles and techniques of
experimentalchemistry. It is ideal for distance learning,
demonstrations, lab run-through,pre-lab work and hazardous, expensive,
or lengthy labs.
ChemLab v1.2, introduces a Lab Wizard tool that allows users to
easilycreate their own lab simulations. The Lab Wizard walks the user
throughthe steps involved in creating a lab and producing a single
distributablefile known as a UDL (User-Defined Lab). The Lab wizard
also incorporatesan extendible chemical database, stoichiometry
reaction engine, passwordprotection, and the deployment of unknown
chemicals. Example UDL filesare also provided, including the reaction
kinetics of redox reaction, atomicweight of magnesium, formula of
hydrate, and others.
Shareware. Joseph Cosentino, Model Science Software,