LWFINGER.NET. Software corner » Eqchem. Eqchem Eqchem is a solver for chemical equations integrated to Kalzium.
It uses a state-of-the art constraint programming solver. eqchem solves simple chemical equations of the form : a formula1 + b formula2 … -> c formula3 + d formula4 .. like in : aCH3CH2OH + bO2 -> cH2O + dCO2 (eqchem suggests 1 CH3CH2OH + 3 O2 -> 3 H2O + 2 CO2 as a solution) The solver finds integer values for the quantities a, b, c, d and can be used to point out mistakes in formula or for searching new ones. It is also possible to give initial values for the quantities a, b, c .. for instance 3 CH3CH2OH + bO2 -> cH2O + dCO2 (a possible solution is : 3 CH3CH2OH + 9 O2 -> 9 H2O + 6 CO2) This program also demonstrates how to interface the FaCiLe library with C++ applications for solving complex problems (the eqchem solver part takes about 25 lines of caml code).
Download the latest version (0.4) here (last update : 20-01-2005). Main / HomePage. MassXpert is Free Software licensed under the GNU General Public License version 3.
This means that you can use it freely for whatever need you may have, you may study the code underlying the program, you may modify that code freely and redistribute it freely with the same license as the one you got with the package. For any comment, please use the maintainer address from here. Chemtool development page.
Chemtool Chemtool is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
A short and possibly outdated description of the available functions is available here. Chemtool relies on transfig by Brian Smith for postscript printing and exporting files in PicTeX and EPS formats. Its companion program, XFig, is recommended for enhancing the output of chemtool, and for creation of 2D diagrams and schematics in general. Both are included with most distributions of Linux, and are available through a number of websites including www.xfig.org. Chemtool was originally written by Thomas Volk, then a student of chemistry and biology at the university of Ulm, Germany. I became involved in development shortly after reading this article, adding a few bond types and such, and gradually took over from him as he was lacking time due to his exams drawing near, and probably generally moving on to other things. Gabedit : A graphical user interface to computational chemistry packages.
BKChem. LIN] Octopus. [UNIV - LIN] PSI4: Ab Initio Quantum Chemistry. LIN] JOELib/JOELib2. LIN] Open Babel. LIN] MDynaMix. [UNIV - LIN] BigDFT. LIN] JChemPaint. LIN] XDrawChem. LIN] RasMol and OpenRasMol. UNIV - LIN] XMakemol. UNIV - MAC. UNIV - LIN] GDPC. General info: gdpc is a program for visualising molecular dynamic simulations, it is a very versatile program and could easily be used for other purposes. gdpc reads xyz input and custom formats and can write out pictures of the frames.
Changelog: 2.2.5 : Minor code cleanup Updated deprecated symbols in GTK+ 2.16. LIN] QuteMol. LIN] PyMOL. UNIV - WIN. LIN] Jmol: an open-source Java viewer for chemical structures in 3D. UNIV - WIN. LIN] KAtomic. UNIV - LIN] KMovisto. LIN] ShelXle. LIN] EasyChem. UNIV - LIN] Chemsuite. LIN] Free cross-platform molecule editor. LIN] GAMGI - General Atomistic Modelling Graphic Interface. PhET: Des simulations gratuites en physique, chimie, biologie, sciences de la Terre et mathématiques. Cours et support didactique pour l'apprentissage de la chimie (collège & lycée) Xem. Les calculs de pH sont fastidieux ?
Ca dépend pour qui. Xem permet de tracer en deux coups de souris des courbes de dosage acido-basique. Pour les élèves, Xem peut être utilisé en complément de travaux pratiques. Il permet d'étudier l'influence des paramètres tels la concentration des espèces et les pKa des couples acide/base faible. Pour les professeurs, Xem permet de préparer des courbes pour le cours, pour les exercices "expérimentaux", et pour les devoirs (eh, eh !). On choisit dans une liste les acides et les bases que l'on veut introduire dans le becher et dans la burette. Xem connaît les acides et bases fortes, les monoacides faibles, les diacides, et les triacides. Quelques exemples sont diffusés avec le pactage. Xem est un logiciel libre sous licence GPL. Kalzium. Kalzium Description Kalzium is an application which will show you some information about the periodic system of the elements.
Therefore you could use it as an information database. Kalzium has already some nice features but there are still a lot of things to do. As Kalzium has been included in KDE 3.1 we are currently coding quite lot to bring in some new and nice features and make it as fast and usefull as possible. Join Us! Interested in helping develop Kalzium? G3DATA. Ghemical. Introduction Ghemical is computational chemistry package, which is licensed under GNU GPL .
The ghemical authors are listed here . Ghemical is implemented using the C++ programming language, and it has a graphical user interface which utilizes the OpenGL graphics interface and the GTK+ multiplatform widget library. Here are some features of the program: Ninithi. Lanka Software Foundation, a non-profit and research oriented organization in Sri Lanka initiated a project in 2009 to develop opensource software to be used in nanotechnology research work.
The idea was welcome by Sri Lanka Institute of Nanotechnology and agreed to assist in the progress. The plan was to release a tool in 2010 and continue the progress in to a bigger project after the release. The inceptive project known as 'Ninithi' , was released on April,2010. It can be used to visualize and analyse widely used carbon allotropes in nanotechnology, Graphene, Carbon nanoribbons, Carbon nanotubes and Fullerenes. The software also provides 3-D views of the molecular structures of those molecules and graphs illustrating electrical properties of them. Carbon nanotubesCarbon nanotube, an allotrope of carbon is one of the breakthroughs of nanotechnology. Graphene, simply a layer of graphite is one of the important and widely used in nanotechnology research. Welcome to the Kemistry Homepage!
Latest KMolCalc release: 0.5.1 (with Kemistry 0.7) KMolCalc is a molecular weight and elemental composition calculator.
It is derived from KMol by Tomislav Gountchev. The main features are: KMolCalc computes molecular weight and elemental composition both from a given formula or from a file. Since KMolCalc uses the Open Babel library, many different chemical formats may be read (including XYZ, MDL, PDB, SMILES,...)