OpenScience / Software



Open Visualization Data Explorer

Posted on February 23, 2001 by Dan Gezelter

IBM’s famous volume renderer that does much much more. Find Open Visualization Data Explorer at: http://www.opendx.org/

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Posted in 3D Plotting, Tools, Visualization | Leave a comment

qmol

Posted on February 23, 2001 by Dan Gezelter

qmol is a simple molecular weight calculator. You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %). Find qmol at: https://sourceforge.net/p/qmol/wiki/Home/

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Posted in Chemistry | Leave a comment

plotutils

Posted on February 23, 2001 by Dan Gezelter

The GNU plotutils package contains software for both programmers and technical users. Its centerpiece is libplot, a powerful C/C++ function library for exporting 2-D vector graphics in many file formats, both vector and raster. It can also do vector grap … Continue reading →

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Posted in 2D Plotting | Leave a comment

Chemsuite Project

Posted on February 23, 2001 by Dan Gezelter

Chemsuite is a set of programs intended to provide to chemists an alternative to commercial chemistry office suites. Find Chemsuite Project at: http://chemsuite.seul.org/

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Posted in Molecule Viewers and Editors | Leave a comment

MOPAC7

Posted on February 23, 2001 by Dan Gezelter

MOPAC is a general-purpose semi-empirical molecular orbital package for the study of chemical structures and reactions. Find MOPAC7 at: http://www.ccl.net/cca/software/LINUX/mopac7/index.shtml

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Posted in Ab Initio Quantum Chemistry | Leave a comment

Guppi

Posted on February 23, 2001 by Dan Gezelter

Guppi is an interactive data analysis application. Guppi is meant to be both powerful and user-friendly. Guppi is not a clone of any existing system, but it is meant to be a free replacement for proprietary tools like Systat, IDL … Continue reading →

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Posted in 2D Plotting | Leave a comment

Edwin H. Connell: Elements of Abstract and Linear Algebra

Posted on February 23, 2001 by Dan Gezelter

A free online textbook on abstract algebra with emphasis on linear algebra. Find Edwin H. Connell: Elements of Abstract and Linear Algebra at: http://www.math.miami.edu/~ec/book/

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Posted in Linear Algebra | Leave a comment

The Gri graphing language

Posted on February 23, 2001 by Dan Gezelter

Gri is an extensible plotting language for producing scientific graphs, such as x-y plots, contour plots, and image plots. It was written by a scientist and therefore has the sorts of things a scientist needs. It is much like LaTeX, … Continue reading →

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Posted in Visualization | Leave a comment

Goose

Posted on February 23, 2001 by Dan Gezelter

Goose is a LGPLed C++ library dedicated to statistical computation. Find Goose at: http://www.gnu.org/software/goose/

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Posted in Statistics | Leave a comment

FFTW

Posted on February 23, 2001 by Dan Gezelter

A fast, free C FFT library; includes real-complex, multidimensional, and parallel transforms. Benchmarked against many other FFTs. Find FFTW at: http://www.fftw.org/

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Posted in Numerical Libraries | Leave a comment