Converters and Calculators

Posted on May 5, 2001 by Dan Gezelter

A collection of calculators and converters that run in your web browser.
Find Converters and Calculators at: http://ostermiller.org/calc/

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Posted in Measurements and Units | Leave a comment

Chemistry::MolecularMass.pm

Posted on April 4, 2001 by Dan Gezelter

A Perl module for calculating molecular mass of chemical compounds.
Find Chemistry::MolecularMass.pm at: http://www.cpan.org/modules/by-module/Chemistry/

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QUALEX-MS

Posted on March 28, 2001 by Dan Gezelter

QUick ALmost EXact Maximum Weight Clique/Independent Set Solver based on the Motzkin-Straus QP formulation
Find QUALEX-MS at: http://www.stasbusygin.org/

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XVibs

Posted on March 24, 2001 by Dan Gezelter

A utility for animating molecular vibrations.
Find XVibs at: http://xvibs.sourceforge.net/

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Posted in Molecule Viewers and Editors | Leave a comment

SciGraphica

Posted on March 22, 2001 by Dan Gezelter

Scientific Graphics and Data Manipulation. A WYSIWYG scientific graphics generator with publication quality PostScript output
Find SciGraphica at: http://scigraphica.sourceforge.net/

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KSEG

Posted on March 13, 2001 by Dan Gezelter

KSEG is an open-source Linux program for exploring Euclidean geometry. You create a construction, such as a triangle with a circumcenter, and then, as you drag verteces of the triangle, you can see the circumcenter moving in real time. Of course, you can
Find KSEG at: http://www.mit.edu/~ibaran/kseg.html

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TheRate

Posted on March 1, 2001 by Dan Gezelter

TheRate stands for Theoretical Rates. TheRate allows thermal rate constants for
unimolecular and bimolecular gas-phase reactions to be calculated directly from an electronic structure molecular orbital and density functional theory.
Find TheRate at: http://therate.hec.utah.edu/

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Viewmol

Posted on March 1, 2001 by Dan Gezelter

Viewmol is an open source graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
Find Viewmol at: http://viewmol.sourceforge.net/

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Posted in Molecule Viewers and Editors | Leave a comment

VEGA

Posted on March 1, 2001 by Dan Gezelter

Visualization / Drug Design tool using standard packages.
Find VEGA at: http://users.unimi.it/~ddl/vega/index.htm

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XLOGP

Posted on March 1, 2001 by Dan Gezelter

XLOGP is a method which can calculate the logP value for an organic compound from its topological structure
Find XLOGP at: http://mdl.ipc.pku.edu.cn/drug_design/work/xlogp.html

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Posted in Biochemistry | Leave a comment