HLRnet.com: New teaching software: Chemistry

New teaching software: chemistry

DWSIM 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 interface.

http://sourceforge.net/projects/dwsim/
SketchEl is an 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.

http://sketchel.sourceforge.net/
Chemistry Add-in for Word

http://chem4word.codeplex.com
pElement is a free interactive reference tool on the periodic table
http://www.crystalmountainsoftware.com/pElementLearnMore.html
http://www.freewarefiles.com/pElement_program_56688.html
Chemitorium
With 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.
http://weltweitimnetz.de/software/Chemistry.en.page
http://www.freewarefiles.com/Chemitorium_program_56578.html
Metastable
Calculates ion-pairs from metastable ions.
http://www.filecluster.com/Business-Office/Other/Download-Metastable.html
Cain 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.

http://freecode.com/projects/cain
Periodic Table Standard
Contains all the chemical elements of the Periodic Table along with images of the elements in their natural state
http://www.filecluster.com/Home-Education/Miscellaneous/Download-Periodic-Table-Standard.html
Open Babel is a 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.

http://freecode.com/projects/openbabel
Virtual Chemistry Lab
You can perform virtual chemical reactions and see what the results would be.
http://www.filecluster.com/Home-Education/E-books-Literature/Download-Virtual-Chemistry-Lab.html
Chemix
Free software for drawing lab diagrams.
http://micron.me.uk/chemix/
ChemToolbox
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 databases.
http://chemtoolbox.free.fr/
COPASI is a 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).

http://freecode.com/projects/copasi
Chemical Entities of Biological Interest (ChEBI) is a freely available database of chemical compounds and other small molecular entities.

http://chebi.wiki.sourceforge.net/
The Chemical Structures project 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 browser.

http://freecode.com/projects/chemstruct/
Buffer
Preparations of buffers for a given pH.
http://www.freewarefiles.com/program_16_233_39170.html
Exact Mass
Lists possible compositions of exact masses.
http://www.freewarefiles.com/program_16_233_39167.html
CHEMMOL is a freeware program for the calculation of molecular masses and chemical analyses of compounds. It was written with the organic chemist in mind.
http://home.kpn.nl/vheeswijk/
Avogadro
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.
http://freecode.com/projects/avogadro/
Periodic Table Explorer
A new way of exploring the periodic table.
http://www.freewarefiles.com/program_16_233_30468.html
V_Sim 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.

http://freecode.com/projects/v_sim/
JOELib/JOELib2 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.

http://freecode.com/projects/joelib/
chemicalInventory 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 users.

http://freecode.com/projects/chi/
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, and BioJava.

http://freecode.com/projects/bioclipse
BKchem is a chemical drawing program written in Python.

http://freecode.com/projects/bkchem/
SimSoup 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.

http://freecode.com/projects/simsoup/
Jmol 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 project.

http://freecode.com/projects/jmol/
Molecular Workbench
Open-source modeling program that was specifically designed for use in education.

http://www.freewarefiles.com/program_3_34_18488.html
http://mw.concord.org/modeler/
JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.

http://freecode.com/projects/jchempaint
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.

http://isotopatcalc.sourceforge.net/
http://freecode.com/projects/ipc/
Periodic Table
Get vast information regarding all the elements of the modern Periodic Table. This Periodic Table contains the following ...
http://www.sofotex.com/Periodic-Table-download_L17114.html
SciencePress: Prog for science teachers. DEMO
SciencePress is a program for teachers of chemistry, science and more. An easy-to-use program to create worksheets and tests using formulas, graphs, etc. Work with things like expressions, geometry, circuitry and transformers. This is a fully functional version but you won't be able to save your findings.
Shareware. Zhimin Ye, Techosoft Corporation, thvksoft@thvksoft.com, CIS: 100080, http://www.techosoft.com/.
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 audience.
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., ahalstead@mchmultimedia.com, http://www.mchmultimedia.com/.
Molecular Weight Calculator Win 95/98/NT. Free
The Molecular Weight Calculator for Windows 95/98/NT will calculate the molecular weight and percent composition of up to seven compounds simultaneously, while properly displaying numbers as subscripts and superscripts where needed. It can recognize up to 150 user-defined abbreviations, all isotopes, and has average mass, isotopic mass, and nominal integer mass weight modes for elements. The program can handle embedded parentheses, multiple hydrates, and has the unique ability to weight certain parts of a compound. An advanced feature of the program is its ability to solve for 'x' in a compound based on user-specifed percent composition data, for example C6H6-[xH2O].
The program also includes a Mole/Mass converter and a Formula Finder capable of finding all compounds with a specific molecular weight or even mass to charge ratio within a given tolerance. Other features include standard deviations of results, automatic case conversion, optional recognition of the amino acids, abbreviation expansion, conversion to an empirical formula, and a built-in mathematical calculator.
The program includes extensive error checking to verify that formulas entered are valid, and optionally displays caution statements for formulas with unusual element combinations. A full Windows help file is included plus context-sensitive tool tips can be displayed in the program. Lastly, all features and formulas can be automatically or manually saved during program operation then reloaded upon program start.
Special requirements: MSVBVM60.DLL Service Pack 2.
Changes: Updated program to VB 6. Added rich text boxes to allow super and subscript text in formulas. Added ability to compute charge of formulas and search for mass to charge ratios in the Formula Finder.
Freeware. Matt Monroe, Monroem@UNC.Edu, http://www.unc.edu/~monroem/.
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, info@molecules.com, http://www.molecules.com/.
ChemLab for Windows: Interactive simulation of a chemistry lab
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, info@modelscience.com, http://www.modelscience.com/