free chemist
of the hour:
Reinhard Maurer
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open enventory is an integrated laboratory journal and inventory program.
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
It calculates the molecular formula, molecular mass, exact mass, elemental analysis and plots the isotopic distribution graph.
WebMO is a free World Wide Web-based interface to computational chemistry packages.
Babel is a program designed to interconvert a number of file formats currently used in molecular modeling.
CACTVS is a distributed client/server system for the computation, management, analysis and visualisation of chemical information of any, even dynamically and ad-hoc defined type.
The ChemNomParse project is an open source project to create a chemical nomenclature parser. The project aims to build molecules from an IUPAC chemical name.
Chemsuite is a set of programs intended to provide to chemists an alternative to have a good suite for chemistry on Linux.
fityk is a program for nonlinear fitting of analytical functions (especially peak-shaped) to data (usually experimental data).
gElemental is a periodic table viewer that provides detailed information on the chemical elements.
The Gnome Chemistry Utils provide some programs and a library containing Gtk widgets and some C++ classes related to chemistry.
GPeriodic is a program for looking up data of elements from the periodic table.
GTK-Gamess is a frontend to GAMESS that allows users to queue up GAMESS calculations and run them sequentially.
Kalzium is an application which will show you some information about the periodic system of the elements.
Kemistry is a collection of chemical applications for the K Desktop Environment.
KMol is a molecular weight and elemental composition calculator.
useful chemistry packages for LaTeX
The MDTools suite is a collection of programs, scripts, and utilities to make various modeling and simulation tasks easier.
MeTA Studio is programmable IDE tailored for a computational chemist.
(Nucleic Acid Builder) provides a programming environment for geometric and force-field manipulations of nucleic acids (and proteins as well).
SODIUM - Arrange ions around
biological macromolecules.
Wat2ions is complementary to DelPhi, the renowned solver of the Poisson-Boltzmann equation.
Free hydrochemistry software for interpretation, analysis and modeling of aqueous solutions.
Calculates pH, alkalinity, open & closed CO2 system, mineral precipitation/dissolution & saturation indices, addition of chemicals (acids, bases, salts), redox reactions.
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