polyXmass

Posted on March 26, 2002 by Dan Gezelter

software for analyzing mass spectrometric data for polymers
Find polyXmass at: http://www.polyxmass.org

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OpenBabel

Posted on March 26, 2002 by Dan Gezelter

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.
Find OpenBabel at: http://openbabel.org/wiki/Main_Page

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Gnotide

Posted on March 26, 2002 by Dan Gezelter

Tidal analysis software based on harmonic analysis. It can display the tidal record, calculate the fft and wavelet transforms, the least squares and allow tidal predictions. Additionally it display the moon phases associated with the spring and neap tides.
Find Gnotide at: http://gnotide.unalmed.edu.co/

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Posted in Oceanography | 1 Comment

JOELib

Posted on March 26, 2002 by Dan Gezelter

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
Find JOELib at: http://sourceforge.net/projects/joelib/

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ScrumPy

Posted on March 26, 2002 by Dan Gezelter

A package of Python modules that allows you to do metabolic modelling.
Find ScrumPy at: http://mudshark.brookes.ac.uk/ScrumPy

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Math::ODE

Posted on December 15, 2001 by Dan Gezelter

Solve N-th Order Ordinary Differential Equations with Perl. Object Oriented interface and easy to use.
Find Math::ODE at: http://www.leto.net/code/Math-ODE/

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Ode

Posted on December 15, 2001 by Dan Gezelter

Ode is a Unix command-line ordinary differential equation solver. It is intended for use as a filter in pipelines, in the spirit of statistics and data-processing codes like TISEAN and |stat.
Find Ode at: http://keithbriggs.info/Ode.html

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GSL – The GNU Scientific Library, a free numerical library for C programmers

Posted on December 15, 2001 by Dan Gezelter

A free numerical library for scientific computing under the GNU General Public license.
Find GSL – The GNU Scientific Library, a free numerical library for C programmers at: http://sources.redhat.com/gsl/

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VEGa

Posted on October 28, 2001 by Dan Gezelter

VEGA was developed to create a bridge between most of the molecular software
packages. In this tool have been also implemented some features that are useful to analyze, display and manage the 3D structures of molecules.
Find VEGa at: http://users.unimi.it/~ddl

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Posted in Molecule Viewers and Editors | Leave a comment

Debrief

Posted on October 25, 2001 by Dan Gezelter

Debrief is a mature Open Source Java application for viewing ship and submarine vessel tracks in 2 and 3 dimensions.
Find Debrief at: http://www.debrief.info/index.shtml

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Posted in Oceanography | Leave a comment