http://baoilleach.blogspot.com/2008/05/rss-feeds-for-chemistry-projects-on.htmlbaoilleach's RSS feed of Chemistry projects on SourceForgeThu, 24 Jul 2008 00:06:06 GMTPyRSS2Gen-1.0.0http://blogs.law.harvard.edu/tech/rsshttp://sf.net/projects/jmol/Jmol is a Java molecular viewer for three-dimensional chemical structures. Features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs.http://sf.net/projects/jmol/ 2008-07-23 00:00:00Wed, 23 Jul 2008 00:00:00 GMThttp://sf.net/projects/openthermo/This program calculates thermodynamic functions from molecular data. It allows to take into account internal rotations (from free rotation approximation to point-to-point input of potential energy curve), and allows to make simple anharmonic corrections.http://sf.net/projects/openthermo/ 2008-07-22 00:00:00Tue, 22 Jul 2008 00:00:00 GMThttp://sf.net/projects/osra/OSRA is a utility designed to convert graphical representations of chemical structures, as they appear in journal articles, patent documents, textbooks, trade magazines etc., into SMILES - a computer recognizable molecular structure format.http://sf.net/projects/osra/ 2008-07-21 00:00:00Mon, 21 Jul 2008 00:00:00 GMThttp://sf.net/projects/gabedit/Gabedit is a Graphical User Interface for Gamess-US, Gaussian, Molcas, Molpro, MPQC, Mopac2007, PC Gamess and Q-Chem computational chemistry packages.http://sf.net/projects/gabedit/ 2008-07-18 00:00:00Fri, 18 Jul 2008 00:00:00 GMThttp://sf.net/projects/sashimi/The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to our open mzXML format.http://sf.net/projects/sashimi/ 2008-07-17 00:00:00Thu, 17 Jul 2008 00:00:00 GMThttp://sf.net/projects/metware/Databases to aid Metabolomics projects providing storage functionality for raw and preprocessed data, and integration with existing data analysis environments.http://sf.net/projects/metware/ 2008-07-17 00:00:00Thu, 17 Jul 2008 00:00:00 GMThttp://sf.net/projects/openbabel/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, biochemistry, or related areas.http://sf.net/projects/openbabel/ 2008-07-17 00:00:00Thu, 17 Jul 2008 00:00:00 GMThttp://sf.net/projects/chemsense/The ChemSense Studio software supports the creation and sharing of text, images, graphs, drawings, and storyboard animations of chemical processes. The ChemSense Animator can be run as a separate, stand-alone application. See http://chemsense.orghttp://sf.net/projects/chemsense/ 2008-07-16 00:00:00Wed, 16 Jul 2008 00:00:00 GMThttp://sf.net/projects/ecomac/The ECOMAC is win32 application used for acquisition and control of chromatographic process, communication with chromatographic devices and storing data for next evaluation. It is written in C. The registration code is needed for full features.http://sf.net/projects/ecomac/ 2008-07-14 00:00:00Mon, 14 Jul 2008 00:00:00 GMThttp://sf.net/projects/spglib/Spglib is a C library to search symmetry of crystal. See wiki page, http://spglib.wiki.sourceforge.net/ .http://sf.net/projects/spglib/ 2008-07-11 00:00:00Fri, 11 Jul 2008 00:00:00 GMThttp://sf.net/projects/cclib/cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS.http://sf.net/projects/cclib/ 2008-07-08 00:00:00Tue, 08 Jul 2008 00:00:00 GMThttp://sf.net/projects/zodiac-zeden/Zodiac is a Molecular Modelling suite for drug design. Its features include support for haptic devices and nintendo wiimote fully undoable command list, MMFF94 implementation, POVRAY output.http://sf.net/projects/zodiac-zeden/ 2008-07-08 00:00:00Tue, 08 Jul 2008 00:00:00 GMThttp://sf.net/projects/fityk/Fityk is nonlinear curve-fitting and data analysis software. It is specialized in fitting peaks (bell-shaped functions like Gaussian, Loretzian, Pearson 7, Voigt) to experimental data.http://sf.net/projects/fityk/ 2008-07-05 00:00:00Sat, 05 Jul 2008 00:00:00 GMThttp://sf.net/projects/nose-project/NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.http://sf.net/projects/nose-project/ 2008-07-04 00:00:00Fri, 04 Jul 2008 00:00:00 GMThttp://sf.net/projects/cuemol/CueMol - Molecular Visualization Frameworkhttp://sf.net/projects/cuemol/ 2008-07-04 00:00:00Fri, 04 Jul 2008 00:00:00 GMThttp://sf.net/projects/pascual/PAScual is a data analysis suite for Positron Annihilation Lifetime Spectroscopy (PALS).http://sf.net/projects/pascual/ 2008-07-02 00:00:00Wed, 02 Jul 2008 00:00:00 GMThttp://sf.net/projects/fact-analysis/The Functional Annotation and Correlation Tool allows the meta-analysis of data from high-throughput experiments (typically microarrays) by annotating (clones, genes, GeneOntology, location, etc) and correlating data sets to identify important patterns.http://sf.net/projects/fact-analysis/ 2008-06-27 00:00:00Fri, 27 Jun 2008 00:00:00 GMThttp://sf.net/projects/chestrucon/Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).http://sf.net/projects/chestrucon/ 2008-06-22 00:00:00Sun, 22 Jun 2008 00:00:00 GMThttp://sf.net/projects/schur/Schur is a standalone program for interactively calculating properties of Lie groups and symmetric functions. Schur has been designed to answer questions of relevance to a wide range of problems of interest to chemists, mathematicians, computer scientisthttp://sf.net/projects/schur/ 2008-06-22 00:00:00Sun, 22 Jun 2008 00:00:00 GMThttp://sf.net/projects/mychem/Mychem is an implementation of the Open Babel library into MySQLhttp://sf.net/projects/mychem/ 2008-06-19 00:00:00Thu, 19 Jun 2008 00:00:00 GMThttp://sf.net/projects/iupinymd/PINY_MD(c) is a multipurpose, object-oriented molecular simulation package.http://sf.net/projects/iupinymd/ 2008-06-17 00:00:00Tue, 17 Jun 2008 00:00:00 GMThttp://sf.net/projects/nodes4knime/The Nodes4KNIME project is an open source initiative to develop independant nodes for use with the KNIME datamining and workflow project. See http://www.knime.org/ For more information see the project wiki http://nodes4knime.wiki.sourceforge.net/http://sf.net/projects/nodes4knime/ 2008-06-16 00:00:00Mon, 16 Jun 2008 00:00:00 GMThttp://sf.net/projects/alsp/The aim of the project is to provide open source collection of algorithms in the field of spectroscopy: data handling and processing, modeling and artificial intelligence tools.http://sf.net/projects/alsp/ 2008-06-14 00:00:00Sat, 14 Jun 2008 00:00:00 GMThttp://sf.net/projects/codonanalysissy/This application transcribes basic codons and tells you the amino acid it codes for, the tRNA anti-Codon, and give you a 3D structural model of the amino acid and 2D picture of its chemical structure. Analysis reports can then be printed by the user.http://sf.net/projects/codonanalysissy/ 2008-06-11 00:00:00Wed, 11 Jun 2008 00:00:00 GMThttp://sf.net/projects/towhee/Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.http://sf.net/projects/towhee/ 2008-06-11 00:00:00Wed, 11 Jun 2008 00:00:00 GMThttp://sf.net/projects/avogadro/Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.http://sf.net/projects/avogadro/ 2008-06-09 00:00:00Mon, 09 Jun 2008 00:00:00 GMThttp://sf.net/projects/apbs/APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://apbs.sf.net/>.http://sf.net/projects/apbs/ 2008-06-09 00:00:00Mon, 09 Jun 2008 00:00:00 GMThttp://sf.net/projects/stochfit/StochFit utilizes stochastic fitting methods to model specular x-ray reflectivity or neutron reflectivity data. It provides an easy to use graphical user interface for both model dependent and model independent methods.http://sf.net/projects/stochfit/ 2008-06-06 00:00:00Fri, 06 Jun 2008 00:00:00 GMThttp://sf.net/projects/nmrshiftdb/NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.http://sf.net/projects/nmrshiftdb/ 2008-06-03 00:00:00Tue, 03 Jun 2008 00:00:00 GMThttp://sf.net/projects/moleculator/Command line molar mass calculator that provides typo checking and options for printing elemental analysis and saving a record of previously calculated molar masses.http://sf.net/projects/moleculator/ 2008-06-01 00:00:00Sun, 01 Jun 2008 00:00:00 GMThttp://sf.net/projects/opt/TestPC created a microbenchmark to test the performance of Java operations on different platforms. TestPC can be used to guide optimization decisions and to compare different Java implementations.http://sf.net/projects/opt/ 2008-05-29 00:00:00Thu, 29 May 2008 00:00:00 GMThttp://sf.net/projects/pdbeditorjl/User friendly PDB (Protein Data Bank) file editor with graphic user interface for protein crystallographers to expedite selective parallel edit / data extraction / analysis of their PDB fileshttp://sf.net/projects/pdbeditorjl/ 2008-05-29 00:00:00Thu, 29 May 2008 00:00:00 GMThttp://sf.net/projects/greylag/Tandem mass spectral peptide identification and validation software, similar to X!Tandem, OMSSA, MyriMatch. Suitable for single hosts through large clusters. Written in Python for simplicity, with performance-critical sections in C++.http://sf.net/projects/greylag/ 2008-05-29 00:00:00Thu, 29 May 2008 00:00:00 GMThttp://sf.net/projects/extrema/EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.http://sf.net/projects/extrema/ 2008-05-29 00:00:00Thu, 29 May 2008 00:00:00 GMThttp://sf.net/projects/bika/Bika combines web content management and workflow processing for a one-stop web-based LIMS (Laboratory Information Management System) · Built in Plone · Professionally supported · Making waves · bi:ka (Zulu): tell it as it ishttp://sf.net/projects/bika/ 2008-05-27 00:00:00Tue, 27 May 2008 00:00:00 GMThttp://sf.net/projects/taris/TARIS (Tree Analysis and Representation of Isopotential Surfaces) is a software package designed for molecular similarity purposes in the field of Computational Chemistry. Users are allowed to compare molecules through their MEP loading .cube files.http://sf.net/projects/taris/ 2008-05-26 00:00:00Mon, 26 May 2008 00:00:00 GMThttp://sf.net/projects/rdkit/A collection of cheminformatics and machine-learning software written in C++ and Python.http://sf.net/projects/rdkit/ 2008-05-25 00:00:00Sun, 25 May 2008 00:00:00 GMThttp://sf.net/projects/cdk/The Chemistry Development Kit (CDK) is a Java library for bio- and chemoInformatics and computational chemistry. It is the basis of other projects like JChemPaint, Jmol, SENECA and NMRShiftDB.http://sf.net/projects/cdk/ 2008-05-25 00:00:00Sun, 25 May 2008 00:00:00 GMThttp://sf.net/projects/sketchel/Chemical structure sketching tool, for use with various cheminformatics applications. Convenient to use and moderately sophisticated. Suitable for viewing, creating and editing MDL MOL files.http://sf.net/projects/sketchel/ 2008-05-24 00:00:00Sat, 24 May 2008 00:00:00 GMThttp://sf.net/projects/pyitc/pyitc is designed for processing and analysing isothermal titration calorimetry experimental data (Microcal instruments).http://sf.net/projects/pyitc/ 2008-05-19 00:00:00Mon, 19 May 2008 00:00:00 GMThttp://sf.net/projects/noemol/Noemol is a graphical program for calculation of multi-spin nuclear Overhauser effects (nOes) in nuclear magnetic resonance (NMR) spectroscopy, it is a valuable tool for scientists involved in structural biology and chemistry.http://sf.net/projects/noemol/ 2008-05-18 00:00:00Sun, 18 May 2008 00:00:00 GMThttp://sf.net/projects/xyztool/It is a commandline tool to manipulate .xyz molecule files.http://sf.net/projects/xyztool/ 2008-05-18 00:00:00Sun, 18 May 2008 00:00:00 GMThttp://sf.net/projects/lammps/LAMMPS is a classical molecular dynamics simulator designed for parallel machines. It can model atomic, polymeric, biological, metallic, or granular systems using a variety of force fields and boundary conditions and can be easily modified and extended.http://sf.net/projects/lammps/ 2008-05-17 00:00:00Sat, 17 May 2008 00:00:00 GMThttp://sf.net/projects/cml/The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering.http://sf.net/projects/cml/ 2008-05-15 00:00:00Thu, 15 May 2008 00:00:00 GMThttp://sf.net/projects/gbr6/An analytical generalized Born model to calculate electrostatic solvation energy that accurately reproduces the linearized Poisson-Boltzmann equation. More about this method is explained in J. Phys. Chem. B, 111, 3055-3061 (2007).http://sf.net/projects/gbr6/ 2008-05-14 00:00:00Wed, 14 May 2008 00:00:00 GMThttp://sf.net/projects/pupil/PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation.http://sf.net/projects/pupil/ 2008-05-12 00:00:00Mon, 12 May 2008 00:00:00 GMThttp://sf.net/projects/vrml97import/The VRML97-Import-Script is a Python-Script, that extends the capabilities of Blender to import VRML97-Files. It supports Blender since version 2.42.http://sf.net/projects/vrml97import/ 2008-05-11 00:00:00Sun, 11 May 2008 00:00:00 GMThttp://sf.net/projects/chemcpp/ChemCpp is a C++ toolbox for chemoinformatics focusing on the computation of kernel functions between chemical compounds. Together with Support Vector Machines, these kernel functions find natural applications for virtual screening of molecules.http://sf.net/projects/chemcpp/ 2008-05-06 00:00:00Tue, 06 May 2008 00:00:00 GMThttp://sf.net/projects/enum/A Fortran 95 implementation of an algorithm for generating derivative structures of a parent lattice. The algorithm is discussed in detail in: Gus L. W. Hart and Rodney Forcade, "A new approach to generating derivative structures," Phys. Rev B. (2008).http://sf.net/projects/enum/ 2008-05-02 00:00:00Fri, 02 May 2008 00:00:00 GMThttp://sf.net/projects/chemicalc/Chemical Calculator that can calculate various aspects of compounds. The programs main features are: * Get information about an element * Calculate the amount of moles of an element * Calculate the Empirical and Molecular formulas of a compoundhttp://sf.net/projects/chemicalc/ 2008-04-29 00:00:00Tue, 29 Apr 2008 00:00:00 GMThttp://sf.net/projects/qmcbeaver/QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.http://sf.net/projects/qmcbeaver/ 2008-04-29 00:00:00Tue, 29 Apr 2008 00:00:00 GMThttp://sf.net/projects/motofit/Motofit co-refines Neutron and X-ray reflectometry data, using the Abeles matrix / Parratt recursion and least squares fitting (Genetic algorithm or Levenberg Marquardt). It works in the IGOR Pro environment (TM Wavemetrics).http://sf.net/projects/motofit/ 2008-04-28 00:00:00Mon, 28 Apr 2008 00:00:00 GMThttp://sf.net/projects/plasmakin/PLASMAKIN is a package to handle physical and chemical data used in plasma physics modeling and to compute gas-phase and gas-surface kinetics data: particle production and loss rates, photon emission spectra and energy exchange rates.http://sf.net/projects/plasmakin/ 2008-04-24 00:00:00Thu, 24 Apr 2008 00:00:00 GMThttp://sf.net/projects/silico/A perl molecular toolkit designed to assist in general molecular modelling activities. Silico provides file format conversion, molecular manipulation and analysis and a simple way to write wrapper scripts around other preexisting software packages.http://sf.net/projects/silico/ 2008-04-22 00:00:00Tue, 22 Apr 2008 00:00:00 GMThttp://sf.net/projects/freelims/Labmatica FreeLIMSŪ is a Laboratory Information Management System ( LIMS ) written in JAVA! Manage samples; create sample types from methods & parameters; easily generate reports & certificates; fine tune user rights; more on: www.labmatica.comhttp://sf.net/projects/freelims/ 2008-04-22 00:00:00Tue, 22 Apr 2008 00:00:00 GMThttp://sf.net/projects/macbarley/MacBarley is a Macintosh application that allows a home brewer to formulate beer recipes and calculate bitterness, gravity, alcohol, color etc. It is written in Cocoa (Objective C) and is compatible with Mac OS 10.5 or later.http://sf.net/projects/macbarley/ 2008-04-21 00:00:00Mon, 21 Apr 2008 00:00:00 GMThttp://sf.net/projects/chromalgema/Numerical Resolution of the Inverse Problem for Chromatography using Evolutionary Algorithms and Adaptive Multiresolution. The goal is to identify the multicomponent equilibrium isotherm from experimental chromatograms.http://sf.net/projects/chromalgema/ 2008-04-15 00:00:00Tue, 15 Apr 2008 00:00:00 GMThttp://sf.net/projects/nlopredict/NLOPredict is a nonlinear optical prediction and data analysis tool. Nonlinear optical measurements can yield information about the orientation of molecules at surfaces and interfaces.http://sf.net/projects/nlopredict/ 2008-04-07 00:00:00Mon, 07 Apr 2008 00:00:00 GMThttp://sf.net/projects/ccp1gui/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.http://sf.net/projects/ccp1gui/ 2008-04-04 00:00:00Fri, 04 Apr 2008 00:00:00 GMThttp://sf.net/projects/mdxvu/Mdxvu is a C code program for Linux, Un*x and Win32/Cygwin. It analyses molecular structures and molecular dynamics (MD) trajectories from the AMBER, GROMACS, TINKER and DISCOVER (TM) programs. Simple graphics are provided by using the X11/XLIB library.http://sf.net/projects/mdxvu/ 2008-04-04 00:00:00Fri, 04 Apr 2008 00:00:00 GMThttp://sf.net/projects/pychem/A graphical univariate & multivariate analysis package for WinXP and Linux. Features principal components analysis (PCA), discriminant function analysis (DFA), cluster analysis, PLS-DA & PLSR, genetic algorithms for feature selection.http://sf.net/projects/pychem/ 2008-03-25 00:00:00Tue, 25 Mar 2008 00:00:00 GMThttp://sf.net/projects/discus/DISCUS is a set of programs to simulate the atomic structure of disordered materials and calculate experimental properties such as diffuse scattering or the atomic pair distribution function.http://sf.net/projects/discus/ 2008-03-24 00:00:00Mon, 24 Mar 2008 00:00:00 GMThttp://sf.net/projects/gsim/GSim - free software tool for visualisation and processing of experimental and simulated nuclear magnetic resonance (NMR) spectra.http://sf.net/projects/gsim/ 2008-03-20 00:00:00Thu, 20 Mar 2008 00:00:00 GMThttp://sf.net/projects/peparml/PepArML: An unsupervised, model-free, combining peptide identification arbiter for tandem mass spectra via machine learning.http://sf.net/projects/peparml/ 2008-03-20 00:00:00Thu, 20 Mar 2008 00:00:00 GMThttp://sf.net/projects/bina/Visualization toolkit for several biological data (e. g. regulatory and metabolic networks or gene expression analysis) using a BN++ database.http://sf.net/projects/bina/ 2008-03-18 00:00:00Tue, 18 Mar 2008 00:00:00 GMThttp://sf.net/projects/opencubman/Open-source Cube Files Manipulator Program (OpenCubMan)is a tool for computational chemists interested in performing operations on files with volumetric data representing wavefunctions or electron densities (often called cube files).http://sf.net/projects/opencubman/ 2008-03-16 00:00:00Sun, 16 Mar 2008 00:00:00 GMThttp://sf.net/projects/matnmr/MatNMR is a highly flexible toolbox for processing 1D and 2D NMR/EPR spectra in MATLAB and creating high-quality 1D, 2D or 3D plots. Fully GUI and/or script-based.http://sf.net/projects/matnmr/ 2008-03-12 00:00:00Wed, 12 Mar 2008 00:00:00 GMThttp://sf.net/projects/binviz/BINViz(Bidirectional Interactive Network Visualization) is a JavaScript library for network and graph visualization. The goal of this tool is to provide a better way to visualize complex graphical models and the underlying data in a web-based environmenthttp://sf.net/projects/binviz/ 2008-03-11 00:00:00Tue, 11 Mar 2008 00:00:00 GMThttp://sf.net/projects/spcview/The software "SPCView" is used for XRF qualitative analysis of various substances with "SPECTROSCAN MAKC" spectrometers.http://sf.net/projects/spcview/ 2008-03-08 00:00:00Sat, 08 Mar 2008 00:00:00 GMThttp://sf.net/projects/iwcd/Industrial Wastewater Discharge Compliance Sampling and Reporting Database Software - Microsoft Accesshttp://sf.net/projects/iwcd/ 2008-03-07 00:00:00Fri, 07 Mar 2008 00:00:00 GMThttp://sf.net/projects/ascend-sim/ASCEND is a modelling environment and solver for large or small systems of non-linear equations, for use in engineering, thermodynamics, chemistry, physics, mathematics and biology. Solvers for both steady and dynamic (NLA & DAE) problems, are provided.http://sf.net/projects/ascend-sim/ 2008-03-06 00:00:00Thu, 06 Mar 2008 00:00:00 GMThttp://sf.net/projects/animltools/.Net based tools for AnIML formatted data fileshttp://sf.net/projects/animltools/ 2008-03-04 00:00:00Tue, 04 Mar 2008 00:00:00 GMThttp://sf.net/projects/bodr/The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.http://sf.net/projects/bodr/ 2008-03-02 00:00:00Sun, 02 Mar 2008 00:00:00 GMThttp://sf.net/projects/qmga/QMGA is a Qt-based molecular graphics application for visualizing large ensembles of ellipsoids, spherocylinders or spheres. It is conceived for coarse-grained mesoscopic molecular simulation, but can be used for any kind of convex body systems.http://sf.net/projects/qmga/ 2008-02-27 00:00:00Wed, 27 Feb 2008 00:00:00 GMThttp://sf.net/projects/pimcpp/PIMC++ is a code designed to perform fully-correlated simulations of quantum systems in continuous space at finite temperature using Path Integral Monte Carlo. It is designed in a modular way to facilitate easy addition of new algorithms.http://sf.net/projects/pimcpp/ 2008-02-22 00:00:00Fri, 22 Feb 2008 00:00:00 GMThttp://sf.net/projects/gavrog/"Gavrog" stands for "Generation, Analysis and Visualization of Reticular Ornaments using Gavrog". It is about pretty pictures, solid state chemistry and rather involved mathematics. Think Escher, crystals, Alhambra, soap bubbles.http://sf.net/projects/gavrog/ 2008-02-20 00:00:00Wed, 20 Feb 2008 00:00:00 GMThttp://sf.net/projects/gdis/This is a GTK/OpenGL based program for displaying isolated molecules, periodic systems, and crystalline habits. It also acts as a GUI to packages such as GAMESS, GULP, and POVRay to provide energy minimizations and publication quality rendering.http://sf.net/projects/gdis/ 2008-02-08 00:00:00Fri, 08 Feb 2008 00:00:00 GMThttp://sf.net/projects/biohack/An open source, free DIY biotech/biohacking bootstrapping kit. Genetic engineering/therapy, BioBricks, synthetic biology - schematics, tutorials, etc.http://sf.net/projects/biohack/ 2008-02-02 00:00:00Sat, 02 Feb 2008 00:00:00 GMThttp://sf.net/projects/jspecview/The JSpecView Project provides applets for the display of JCAMP-DX and AnIML/CML spectral files. They require JAVA 1.5+ and source and binary files are available from the sourceforge SVN and download menu option. See the WIKI pages for more detailshttp://sf.net/projects/jspecview/ 2008-01-28 00:00:00Mon, 28 Jan 2008 00:00:00 GMThttp://sf.net/projects/sonicdata/SonicData is a data collection and analysis program used in connection with a sound card voltage-to-frequency interface. Its intended use is for laboratory instrumentation.http://sf.net/projects/sonicdata/ 2008-01-23 00:00:00Wed, 23 Jan 2008 00:00:00 GMThttp://sf.net/projects/wachabe/Open Source Laboratory Information Management System. Enabling the gathering / storing of analytical data within an SQL database.http://sf.net/projects/wachabe/ 2008-01-19 00:00:00Sat, 19 Jan 2008 00:00:00 GMThttp://sf.net/projects/chem-file/The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.http://sf.net/projects/chem-file/ 2008-01-15 00:00:00Tue, 15 Jan 2008 00:00:00 GMThttp://sf.net/projects/moplot/MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 03/98/94, Molcas, Gamess/US quantum chemical calculation packages.http://sf.net/projects/moplot/ 2008-01-07 00:00:00Mon, 07 Jan 2008 00:00:00 GMThttp://sf.net/projects/ollints/This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanishhttp://sf.net/projects/ollints/ 2008-01-06 00:00:00Sun, 06 Jan 2008 00:00:00 GMThttp://sf.net/projects/bioclipse/An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).http://sf.net/projects/bioclipse/ 2007-12-21 00:00:00Fri, 21 Dec 2007 00:00:00 GMThttp://sf.net/projects/echempp/EChem++ is a software system based on an object oriented approach to electrochemical experimentation, simulation, and data analysis. Currently, development emphasis lies on the modelling and simulation as well as the analysis modules.http://sf.net/projects/echempp/ 2007-12-18 00:00:00Tue, 18 Dec 2007 00:00:00 GMThttp://sf.net/projects/janocchio/Janocchio is an application or applet for viewing 3D molecular structures and calculating NMR couplings and NOEshttp://sf.net/projects/janocchio/ 2007-12-07 00:00:00Fri, 07 Dec 2007 00:00:00 GMThttp://sf.net/projects/gausssum/GaussSum parses the output of ADF, GAMESS, GAMESS-UK, and Gaussian to extract useful information: progress of geometry optimisation, UV/IR/Raman spectra, MO contributions and more.http://sf.net/projects/gausssum/ 2007-12-06 00:00:00Thu, 06 Dec 2007 00:00:00 GMThttp://sf.net/projects/gvib/GVIB is a user friendly package for vibrational analysis. Given a molecular geometry, it will calculate vibrational frequencies and intensities using anharmonic internuclear potential.http://sf.net/projects/gvib/ 2007-12-05 00:00:00Wed, 05 Dec 2007 00:00:00 GMThttp://sf.net/projects/mito-mas-m/Mito-MAS-m is a simulator of the mitochondrial inner membrane and the enzymatic complexes embedded in it, implementing a coarse-grained (CG) model of the molecules using rigid structures and Dissipative Particules Dynamics (DPD) as motion equation.http://sf.net/projects/mito-mas-m/ 2007-12-04 00:00:00Tue, 04 Dec 2007 00:00:00 GMThttp://sf.net/projects/scanedit/Program for viewing, editing, manipulating, and analyzing spectral data. Advanced functions include fitting spectra as LC of standard basis spectra, singular value decomposition, Fourier transform, global fitting of 3D titration and kinetic data.http://sf.net/projects/scanedit/ 2007-11-30 00:00:00Fri, 30 Nov 2007 00:00:00 GMThttp://sf.net/projects/chemformatter/ChemFormatter is add-in program for Microsoft Office. ChemFormatter automatically applies font styles in a chemical document.http://sf.net/projects/chemformatter/ 2007-11-20 00:00:00Tue, 20 Nov 2007 00:00:00 GMThttp://sf.net/projects/hysss/Hy3S uses advanced MPI parallelized hybrid stochastic simulation methods to quickly compute the dynamics of biochemical networks with thousands of species/reactions. Many features included (see Home Page). An easy-to-use GUI (Matlab req) is included.http://sf.net/projects/hysss/ 2007-11-19 00:00:00Mon, 19 Nov 2007 00:00:00 GMThttp://sf.net/projects/crystalbuilder/An easy way for single crystal structure analysis. Graphical software for single crystal structure refinement. CRYSTALBUILDER uses SHELXL-97 software for the refinement and makes directly possible the molecular structure visualization.http://sf.net/projects/crystalbuilder/ 2007-11-08 00:00:00Thu, 08 Nov 2007 00:00:00 GMThttp://sf.net/projects/nacmos/The program NAcMoS (Nucleic Acid Modeling System) is a software package that leads to a natural classification of RNAs represented as weighted graphs.http://sf.net/projects/nacmos/ 2007-11-01 00:00:00Thu, 01 Nov 2007 00:00:00 GMThttp://sf.net/projects/autoshim/Tools to build molecular-docking activity prediction models by PLS regression with iterative training and pose-selection. Descriptors include (i) docking score(s), (ii) pharmacophore features, (iii) multi-feature descriptors learned by decision trees.http://sf.net/projects/autoshim/ 2007-10-30 00:00:00Tue, 30 Oct 2007 00:00:00 GMThttp://sf.net/projects/zephyr/A script-driven measurement automation program, developed to simplify some laboratory tests. It may be suitable for many applications involving measurement instruments and actuators, especially where there's a need to change the setup often.http://sf.net/projects/zephyr/ 2007-10-30 00:00:00Tue, 30 Oct 2007 00:00:00 GMThttp://sf.net/projects/qmforge/QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See the webpage for more infohttp://sf.net/projects/qmforge/ 2007-10-29 00:00:00Mon, 29 Oct 2007 00:00:00 GMThttp://sf.net/projects/congener/ConGENER package is a set of combinatorial-computational tools to study families of halogen substituted molecules, so called congeners.http://sf.net/projects/congener/ 2007-10-18 00:00:00Thu, 18 Oct 2007 00:00:00 GMThttp://sf.net/projects/freesteam/Open source steam property routines for C++. Implements the IAPWS-IF97 and IAPWS-95 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from Python.http://sf.net/projects/freesteam/ 2007-10-15 00:00:00Mon, 15 Oct 2007 00:00:00 GMT