OpenScience / Software



ATLAS

Posted on February 23, 2001 by Dan Gezelter

Automatically Tuned Linear Algebra Software Find ATLAS at: http://www.netlib.org/atlas/index.html

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Posted in Numerical Libraries | Leave a comment

EMBOSS

Posted on February 23, 2001 by Dan Gezelter

EMBOSS is “The European Molecular Biology Open Software Suite”. EMBOSS is a free Open Source software analysis package specially developed for the needs of the molecular biology (e.g. EMBnet) user community. The software automatically copes with data in a variety … Continue reading →

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Posted in Biochemistry | Leave a comment

XDrawChem

Posted on February 23, 2001 by Dan Gezelter

XDrawChem is a two-dimensional molecule drawing program for Unix operating systems. Find XDrawChem at: http://xdrawchem.sourceforge.net/

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Posted in Molecule Viewers and Editors | Leave a comment

LAPACK

Posted on February 23, 2001 by Dan Gezelter

Linear Algebra Package Find LAPACK at: http://www.netlib.org/lapack/index.html

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Posted in Numerical Libraries | Leave a comment

Netlib

Posted on February 23, 2001 by Dan Gezelter

An incredibly useful set of libraries for numerical computation. Find Netlib at: http://www.netlib.org

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Posted in Mathematics | Leave a comment

Kemistry

Posted on February 23, 2001 by Dan Gezelter

KDE-inspired molecular weight calculator Find Kemistry at: http://kemistry.sourceforge.net/

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Posted in Chemistry | Leave a comment

GAMESS

Posted on February 23, 2001 by Dan Gezelter

The General Atomic and Molecular Electronic Structure System is a freely availible general ab initio quantum chemistry package. Free graphics programs are also availible for downloading. Find GAMESS at: http://www.msg.ameslab.gov/GAMESS/GAMESS.html

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Posted in Ab Initio Quantum Chemistry | Leave a comment

NIMROD

Posted on February 23, 2001 by Dan Gezelter

a code suitable for the study of long-wavelength, low-frequency, nonlinear phenomena in realistic toroidal geometry, including Tokamaks, Spheromaks, Reversed Field Pinches, and Field-Reversed Configurations Find NIMROD at: http://www.nimrodteam.org/

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Posted in Plasma | Leave a comment

CACTVS

Posted on February 23, 2001 by Dan Gezelter

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. Find CACTVS at: http://www2.chemie.uni-erlangen.de/software/cactvs/index.html

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Posted in Theoretical and Computational | Leave a comment

BallRoom

Posted on February 23, 2001 by Dan Gezelter

a tool to draw large ensembles of atoms Find BallRoom at: http://www.fisica.uniud.it/~ercolessi/ballroom.html

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Posted in Molecule Viewers and Editors | Leave a comment