Molecular Orbital Plotting

MOPlot is a handy visualization application specially designed for fast molecular orbitals plotting from the outputs of the Gaussian 03/98/94, Molcas, Gamess/US quantum chemical calculation packages. This Molecular Orbital Plotting Program will prove to be easy-to-use and very efficient. MOPlot... Platforms: Windows, XP

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

There are 23 different functions performing basic orbital operations (Hohmann tx, inclination and node changes, orbital parameter conversions, ground tracks, orbit plotting, etc.). Some of these functions are still rough, so please provide feedback. These functions are basically how I did all of... Platforms: Matlab

Hidden Markov models are used to describe the "stepping" behavior of molecular motors, as measured by single-molecule fluorescence techniques. Our HMM implementation is more versatile than the one described by Milescu, et al. Biophys. J. 91:3135-3150 and can be used as a "blind" step detector or... Platforms: Matlab

The COE ( Classical Orbital Elements ) tool will help tovisualize orbital elements around a planet and is intendedas a help to experiment with the different orbital elementsand see how the orbit will look like.The orbit color is as followsblue: progradered: retrogradeblack: polarThe coordinate... Platforms: Matlab

ORMA (Oligonucleotide Retrieving for Molecular Applications) is a series of integrated scripts in Matlab, which performs an accurate search of all the positions able to specifically discriminate one species among homologous ones. ORMA also performs an accurate selection of high-quality... Platforms: Matlab

The EJS Molecular Dynamics model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated time step. For sufficiently small time steps dt,... Platforms: Mac

The EJS Molecular Dynamics Demonstration model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated Time step. For sufficiently small... Platforms: Mac

The Molecular Dynamics Adiabatic Piston model shows two gas samples within a horizontal cylinder that is divided by an insulated piston that moves without friction. It is a supplemental simulation for an article by Eric Gislason "A close examination of the motion of an adiabatic piston" in the... Platforms: Mac

Free Learn Addition contains eight lessons on basic addition and you learn them on board the Orbital One space station. To ensure you have grasped the subject 27 tests have been included. Free Learn Addition is the addition topic of Learn Math 3D on Orbital One made in to a fully functional stand... Platforms: Windows

APLpy (the Astronomical Plotting Library in Python) is a Python module aimed at producing publication-quality plots of astronomical imaging data in FITS format. Visit http://aplpy.sourceforge.net/ for tutorials and documentation. Platforms: Mac, Linux

FunkyPlot is an interactive plotting tool for mathematical functions, designed for pupils and students. Platforms: Windows, Mac, Linux

JPlot is a multi-purpose data plotting program for use as the graphic front-end of (scientific) software. JPlot is also available as a stand-alone application with a complete and easy-to-use graphic user interface (GUI). Platforms: Windows, Mac, Linux

Narrative is a Mac OS X native plotting framework written with the Cocoa API. It is already capable (see, e.g., www.trade-strategist.com), but will evolve into a complete OO solution to plotting in Cocoa and GNUStep. Platforms: Mac, BSD, Linux

Orbital Conflict is a top-down arcade-style shooter, inspired by Omega Race. The game contains modern 2d graphics. Traditional arcade gameplay is enhanced by powerups and unique enemies. Puzzle, and challenge modes are planned. Platforms: Windows, Mac, BSD, Linux

Periscope is a 3D plotting library written in C++ on top of VTK. It provides an abstract interface for creating 3D plots. Platforms: Windows, Mac, BSD, Linux

PFMD performs a Molecular Dynamics simulation of some polarizable fluids at the liquid state by means of a dissociable potential. Supported molecules are H2O (water) and MX3, where M is a metal among Al, Fe, or Ga and X is a halogen among Cl, Br, or I. Platforms: Windows, Mac, Linux

Pyllar is a 3D plotting library for the Python programming language. It uses the Visualization Toolkit (VTK) and PyNum library provide high quality 3D plots for science and engineering. Platforms: Windows, Mac, Linux

PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source PyMOL is free to everyone! Platforms: Windows, Mac, BSD, Solaris, Linux

This interactive MATLAB script (sep_ltot.m) can be used to determine the characteristics of continuous, low-thrust orbital transfer between two nonplanar circular orbits using solar-electric propulsion (SEP). The numerical method used in this script is described in Chapter 14 of the book Orbital... Platforms: Matlab