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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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

TINKER

Posted on February 23, 2001 by Dan Gezelter

The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for polypeptides.
Find TINKER at: http://dasher.wustl.edu/tinker/

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MathML in Mozilla

Posted on February 23, 2001 by Dan Gezelter

Project to add Math Markup language to our last best hope at an open source browser.
Find MathML in Mozilla at: http://www.mozilla.org/projects/mathml/

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ROOT

Posted on February 23, 2001 by Dan Gezelter

An Object Oriented Framework For Large Scale Data Analysis (used primarily
in the high-energy and nuclear physics community).
Find ROOT at: http://root.cern.ch/

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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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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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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 and Microcal Origin.
Find Guppi at: http://www.gnome.org/projects/guppi/

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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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MOSCITO

Posted on February 23, 2001 by Dan Gezelter

Moscito is designed for condensed phase and gas phase MD simulations of molecular aggregates. Standard molecular mechanics force-fields such as AMBER, OPLS, CHARMM and GROMOS can be employed. Simulations can be carried out in different ensembles such as NVE, NVT or NPT using the weak coupling scheme. (Smooth Particle Mesh) Ewald summation is used for long range electrostatic interactions.
Find MOSCITO at: http://139.30.122.11/MOSCITO/

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