Ucsd Chemistry Department

An electronic Periodic Table of the Elements in German language (but translations may follow) made espiacially for pupils in the first years of learning chemistry.

OASYS GPL is an online peer assessment system, initially developed by Ashley Ward and Abhir Bhalerao in the Department of Computer Science at the University of Warwick. Using a web browser, students sit tests, then mark the work of several of their peers.

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use...


Platforms: Windows, Mac, *nix, C/C++, BSD

OpenOffice.org extension for creation and editing of chemical structures embedded into OOo documents


Platforms: Windows, Mac, Linux

PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that 'simple things should be simple'. It should be possible to write one-liners that use this toolkit to do meaningful 'molecular munging'.


Platforms: Windows, Mac, Linux

PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.


Platforms: Windows, Mac, Linux

The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.


Platforms: Windows, Mac, Linux

The Mechanical Engineering Department at Oregon State University currently has high-resolution x-ray tomography equipment that allows three-dimensional imaging of the interior of objects. Their existing imaging software is command line based and difficult


Platforms: Windows, Mac, Linux

A LaTeX class for typesetting theses and dissertations at the University of California, San Diego.


Platforms: Windows, Mac, Linux

Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.


Platforms: Mac, BSD, Linux

MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D...


Platforms: Mac

It authenticates users from Drupal and classify them to user groups and department units.InstallationUnpack in your modules folder (usually /sites/all/modules/) and enable under Administer > Site Building > Modules. Key features "Trouble ticketing system": - ticket lifecycle management - MySQL...


Platforms: Windows, Mac, *nix, PHP, BSD Solaris

XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry...


Platforms: Windows, Mac, *nix, C/C++, BSD Solaris

This software has been realized at the Technology Lab, Department of Cognitive and Neural Systems, Boston University - http://techlab.bu.edu. The main author of the software is Praveen Pilly ( http://techlab.bu.edu/members/advait/ ).How does the brain make perceptual decisions? Speed and accuracy...


Platforms: Matlab

1 Introduction PLS-DA for data analysis in chemistry and OMICS studies. Also included in this package are 3 variable selection methods: 1) target projection (TP) 2) competitive adaptive reweighted sampling (CARS) 3) subwindow permutation analysis (SPA). SPA is based on model pupulation analysis...


Platforms: Matlab

Base paper detail : "Improved Particle Swarm Optimization Based Load Frequency Control In A Single Area Power System"Saumya Kr. Gautam, Nakul Goyal Department of Electrical Engineering, IT-BHUVaranasi,India."This my first model, implementing IPSO/ Other Algorithm i will publish soon"


Platforms: Matlab

Covariance NMR toolbox, version 1.1 (C) (2010)David A. Snyder(1) along with Timothy Short(1), Leigh Alzapiedi(1) and Rafael Bruschweiler (2)(1) Department of Chemistry, College of Science and Health, William Paterson University; (2) Department of Chemistry and NHMFL, Florida State UniversityThe...


Platforms: Matlab

A computer model has been developed that provides a realistic description of the variation of the human heart surface shape during a single cardiac cycle. The model is proposed for investigations in the field of biomedical engineering, where computer simulation is necessary.A MATLAB spline...


Platforms: Matlab

This is a little script that adds several Gaussian or Lorentzian functions with the appropriate full width at half max and height to generate and plot a spectrum. The input is an array containing frequency vs oscillator strength, desired fwhm of the peaks and method for generating the spectrum....


Platforms: Matlab

Computation of the residue curve map for the MTBE chemistry is presented in the program. The equilibrium, taking place in the liquid phase, transforms methanol and isobutene into MTBE with n-butane being an inert component. Thermodynamic data can be found in the excellent paper by Niang and...


Platforms: Matlab