Nonpolar Molecules

This method computes an accurate continuous approximation of the DW-MRI signal using adaptive kernels (A. Barmpoutis et al. "Adaptive kernels for multi-fiber reconstruction", In the Proceedings of IPMI, 2009). The approximation is based on Fig. 3 of the article which shows the plot of the DW-MRI...

Explore what makes a reaction happen by colliding atoms and molecules. Design experiments with different reactions, concentrations, and temperatures. When are reactions reversible? What affects the rate of a reaction?

When is a molecule polar? Change the electronegativity of atoms in a molecule to see how it affects polarity. See how the molecule behaves in an electric field. Change the bond angle to see how shape affects polarity. See how it works for real molecules in 3D.


Platforms: Mac

Is it a tumor? Magnetic Resonance Imaging (MRI) can tell. Your head is full of tiny radio transmitters (the nuclear spins of the hydrogen nuclei of your water molecules). In an MRI unit, these little radios can be made to broadcast their positions, giving a detailed picture of the inside of your...


Platforms: Mac

The EJS Kac Model simulates the relaxation of a gas to equilibrium by randomly selecting and then colliding gas molecules but without keeping track of the molecules' positions. As long as the collisions are consistent with spatial isotropy, the Boltzmann speed distribution will emerge. You can...


Platforms: Mac

How do greenhouse gases affect the climate? Explore the atmosphere during the ice age and today. What happens when you add clouds? Change the greenhouse gas concentration and see how the temperature changes. Then compare to the effect of glass panes. Zoom in and see how light interacts with...


Platforms: Mac

Gene Studio is a free tool for modelling of DNA manipulation. It will allow to work with vectors, to design primers, to clone molecules and provide user friendly intewrface.


Platforms: Mac

When is a molecule polar? Change the electronegativity of atoms in a molecule to see how it affects polarity. See how the molecule behaves in an electric field. Change the bond angle to see how shape affects polarity. See how it works for real molecules in 3D.


Platforms: Mac

Explore tunneling splitting in double well potentials. This classic problem describes many physical systems, including covalent bonds, Josephson junctions, and two-state systems such as spin 1/2 particles and Ammonia molecules.


Platforms: Mac

Calculates Natural Product(NP)-likeness of a molecule, i.e. the similarity of the molecule to the structure space covered by known natural products. NP-likeness is a useful criterion to screen compound libraries and to design new lead compounds. Features + Check for redundant structures in...


Platforms: Mac

The Isotope Pattern Calculator calculates and displays the isotopic distribution and exact masses for peptides and other molecules. Users are given extensive control over the operation with options such as chemical modifications and instrument resolution. Results are displayed either on a plot or...


Platforms: Mac

EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.


Platforms: *nix

This is a GTK/OpenGL based program for displaying isolated molecules, periodic systems, and crystalline habits. It also acts as a GUI to packages such as GAMESS, GULP, and POVRay to provide energy minimizations and publication quality rendering.


Platforms: *nix

CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing physical properties for all stable isotopes including more than 2500...


Platforms: Windows

CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing history, 19 physical properties + number of stable isotopes,...


Platforms: Windows, Windows 8, Windows 7, Windows Server

The global smash hit, all-purpose chemical drawing and graphics software. Use templates or free-hand, click and draw molecules, ions, stereobonds, text, polygons, arrows, etc. Automatic calculation of MW and formula. See estimates of density, refractive index, molar volume, etc. Now you can...


Platforms: Windows

Chemistry::Mol is a molecule object toolkit. SYNOPSIS use Chemistry::Mol; $mol = Chemistry::Mol->new(id => "mol_id", name => "my molecule"); $c = $mol->new_atom(symbol => "C", coords => [0,0,0]); $o = $mol->new_atom(symbol => "O", coords => [0,0,1.23]); $mol->new_bond(atoms => [$c, $o],...


Platforms: *nix

LMarbles is an Atomix clone with a slight change in concept. Instead of assembling molecules you create figures out of marbles. Nevertheless, the basic game play is the same: If a marble starts to move it will not stop until it hits a wall or another marble. To make it more interesting there...


Platforms: *nix

cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib...


Platforms: *nix

Remember those ball-and-wooden-stick models of molecules from chemistry class? In Atomic Bonds your goal is to build molecules by placing atoms into the game board. Every atom you place will have a number of empty charges that must be filled by linking it to other atoms. Once there are no more...


Platforms: Mac