Chemistry Conversions

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...

MATLAB is one of the best pedagogical software tools to illustrate and visualize concepts in engineering programs. Considering the vast influence of this software on control engineering, teaching "MATLAB & Simulink for Dynamic System Analysis & Control" is of paramount importance in undergraduate...

This is a LaTeX package to realise ball and spoke (ball and stick) models used in Chemistry, Physics or other Material Sciences using PGF/TikZ


Platforms: Windows, Mac, BSD, Linux

Function: Savitzky-Golay Smoothing and Differentiation Filter The Savitzky-Golay smoothing/differentiation filter (i.e., the polynomial smoothing/differentiation filter, or the least-squares smoothing/differentiation filters) optimally fit a set of data points to polynomials of different degrees....


Platforms: Matlab

Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistry software as NWChem, Octopus, Gaussian, etc. The result can be saved in relational database.


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

The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.


Platforms: *nix

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

XML Factory is a free Java library providing precise control over XML creation from a Java object with emphasis on speed and its ability to "bolt-on" to any project. Here are some key features of "XML Factory": ?*A* Java bean to XML conversions ?*A* Ant Task to create converters from a Java bean


Platforms: Mac

JTabler is for the simple table manager to utilize other programs, including many internet utilities, statistics tools, especially adapted for chemistry data such as SDF and MOL


Platforms: Windows, Mac, Linux

Calculates both fixed and custom aspect ratio conversions. Conversions can be triggered using your mouse or with keyboard commands. - Preset Matrix for Custom Calculator - UI Enhancements


Platforms: Mac

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

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

Publishers have a choice between old style, static Captcha security and the NuCaptcha platform; a multi purpose product which provides industry leading security combined with brand messaging, advertising and unique user engagement.NuCaptcha Basic is a free, easy to use, service for...


Platforms: PHP

This plugin is heavily based on the "German Permalinks" plugin from Scott Hanson with modifications form Michael Renzmann and Rainer Gerhards. Rainer Gerhards has added the capability to clean the content to HTML entities (e.g. > doDs) and I have added more characters and limited the...


Platforms: PHP

Soft Water Ware - Calculate ratio of hard to soft water needed for your aquarium Soft Water Ware is an electronic version of the Pearson???*a*?s Square, and allows the aquarist to quickly work out the ratios of (hard) tap water to (soft) rainwater required to make up water of a desired hardness...


Platforms: Mac

FF Multi Converter is a GUI application that converts multiple file formats to different extensions , using and combining other programs. The application supports Audio, Video, Image and Document file formats. It uses ffmpeg for audio/video files, unoconv for document files (which uses the...


Platforms: *nix

Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).


Platforms: Windows, Mac, Linux

FishLAB is an easy-to-use program for tracking aquarium water chemistry. With FishLab you can monitor pH, hardness, NH4, NO2, NO3, Fe, CO2 (the software converts units where needed). The graph function warns you of bad trends in water quality.


Platforms: Windows, Mac, Linux

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.


Platforms: Windows, Mac, Linux