HLRnet.com: New teaching software: Chemistry

New teaching software: chemistry

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://freshmeat.net/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.hetnet.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://freshmeat.net/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://freshmeat.net/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://freshmeat.net/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://freshmeat.net/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://freshmeat.net/projects/bioclipse
BKchem is a chemical drawing program written in Python.

http://freshmeat.net/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://freshmeat.net/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://freshmeat.net/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/
ChemLabNotebook
Chemistry lab notebook
http://www.versiontracker.com/dyn/moreinfo/win/60342
JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.

http://freshmeat.net/projects/jchempaint
Atomic PC
Periodic table of the elements
http://www.versiontracker.com/dyn/moreinfo/win/35565
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://freshmeat.net/projects/ipc/
Molecular Structure of the Substance
Graphic simulation
http://www.versiontracker.com/dyn/moreinfo/win/49275
ChemCalcs 1.0 - chemistry question and answer environment
http://www.versiontracker.com/dyn/moreinfo/win/35850
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
ChemAP 2003
A periodic table for Windows.
http://www.jumbo.com/newfiles/files.asp?x_fileid=203093
VLECalc: VapLiq Eq, Distill, UNIFAC/NRTL. Free
VLECalc is a tool for chemists and engineers that develop or operate chemical manufacturing processes which use organic solvents. It performs a bubble point calculation given pure component vapor pressure parameters (Antoine constants) and an activity coefficient model (ideal, UNIFAC or NRTL). It can also simulate a simple batch distillation and solvent replacement operation.
Special requirements: Windows 95, Microsoft Excel 97, Visual Basic 4 32-bit runtime files.
Changes: Status changed to Freeware from Shareware.
Freeware. Bill Kovats, wdkovats@net-link.net, http://www.net-link.net/~wdkovats/.
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/.
CChemistry: Shows info about the first 103 elements. Free
CChemistry is a small program designed to test part of a larger chemistry program. Its only function is displaying information about the first 103 elements in the periodic table. Simply select an element from the list and that element's name, symbol, number, and weight will be displayed on the right.
Freeware. Aaron Andersen, kc7gza@hotmail.com, http://www.geocities.com/SiliconValley/Peaks/2845/.
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/.
Chemxd11: Atoms, Bonding and Structure: Chem tutor
Unique interactive multimedia Chemistry tutor which tests students as they learn. Teaches about elements, compounds, mixtures, atomic structure, ionic and covalent bonding, bond energies and much more. Includes two online Periodic Tables. As far as possible, skills are taught through familiar examples, to help reinforce general chemical knowledge. Written by a teacher for use in schools, but an excellent personal tutor for anyone beginning to study Chemistry. Questions constantly test understanding and hints are given when answers are wrong. Companion program to 'Atoms, Symbols and Equations'.
Special requirements: Vbrun300.dll.
Shareware. Ray Le Couteur, Ray Le Couteur Educational, Raylec@compuserve.com, http://ourworld.compuserve.com/homepages/RayLec/ .
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/