OpenScience / Software



VASP Data Viewer

Posted on February 23, 2001 by Dan Gezelter

A free, open source 3D viewer for molecular charge distributions. Find VASP Data Viewer at: http://vaspview.sourceforge.net/

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Posted in Molecule Viewers and Editors | Leave a comment

GPeriodic

Posted on February 23, 2001 by Dan Gezelter

a periodic table application. Find GPeriodic at: http://www.frantz.fi/software/gperiodic.php

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Posted in Periodic Tables | Leave a comment

EGO

Posted on February 23, 2001 by Dan Gezelter

A Program for Efficient Parallel Molecular Dynamics Find EGO at: http://heller.userweb.mwn.de/ego/

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Posted in Molecular Dynamics | Leave a comment

OpenRasMol

Posted on February 23, 2001 by Dan Gezelter

RasMol is a program for molecular graphics visualisation originally developed by Roger Sayle. Find OpenRasMol at: http://www.OpenRasMol.org/

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Posted in Molecule Viewers and Editors | Leave a comment

xyz2rgb

Posted on February 23, 2001 by Dan Gezelter

xyz2rgb makes pretty pictures and movies of molecules. It expects input in the form of an XYZ file, one of the file formats frequently used by computational chemists. As output, it produces one or more line-interlaced RGB files. Find xyz2rgb … Continue reading →

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LabJ

Posted on February 23, 2001 by Dan Gezelter

LabJ (a.k.a Electronic Laboratory Notebook, ELN, Laboratory Journal) assists in planning chemical reactions and stores chemical information. Open Source, but it requires ISIS Desktop package from MSI. Find LabJ at: http://www.karolgrela.eu/labj/

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NAB

Posted on February 23, 2001 by Dan Gezelter

The NAB molecular manipulation language – a computer language (specified through lex and yacc) that allows nucleic acid structures to be described in a hierarchical fashion, using a language similar to C or awk, but designed especially for the manipulatio … Continue reading →

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Posted in Theoretical and Computational | Leave a comment

Flight Dynamics and Control Toolbox for Matlab/Simulink

Posted on February 23, 2001 by Dan Gezelter

A Matlab/Simulink toolbox for aircraft dynamics analysis and flight control system design. Features a detailed simulation model of the Beaver aircraft plus autopilot. Free download of software and user-manual. Find Flight Dynamics and Control Toolbox for Matlab/Simulink at: http://www.dutchroll.com/

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Posted in Aviation and Aeronautics | Leave a comment

GAlib

Posted on February 23, 2001 by Dan Gezelter

GAlib contains a set of C++ genetic algorithm objects. Find GAlib at: http://lancet.mit.edu/ga/

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Posted in Optimization | Leave a comment

ScientificPython

Posted on February 23, 2001 by Dan Gezelter

ScientificPython is a collection of Python modules that are useful for scientific computing. Find ScientificPython at: http://dirac.cnrs-orleans.fr/plone/software/scientificpython

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Posted in Tools | Leave a comment