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Author Archives: Dan Gezelter
polyXmass
software for analyzing mass spectrometric data for polymers Find polyXmass at: http://www.polyxmass.org
Posted in Analytical
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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, solid-state materials, biochemistry, or related areas. Find … Continue reading
Posted in Chemistry
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Gnotide
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 … Continue reading
Posted in Oceanography
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JOELib
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/
Posted in Theoretical and Computational
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ScrumPy
A package of Python modules that allows you to do metabolic modelling. Find ScrumPy at: http://mudshark.brookes.ac.uk/ScrumPy
Posted in Biochemistry
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Math::ODE
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/
Posted in Ordinary
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Ode
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
Posted in Ordinary
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GSL – The GNU Scientific Library, a free numerical library for C programmers
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/
Posted in Numerical Libraries
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VEGa
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
Posted in Molecule Viewers and Editors
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Debrief
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
Posted in Oceanography
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