OpenScience / Software



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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Posted in 2D Plotting | Leave a comment

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 … Continue reading →

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Posted in Geometry | Leave a comment

XMakemol

Posted on March 1, 2001 by Dan Gezelter

XMakemol is a program written for UN*X operating systems in ANSI C using the X, Xt and Motif libraries. It can be used to view and manipulate atomic and molecular data given in xyz format. Find XMakemol at: http://www.nongnu.org/xmakemol/

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XMolCalc

Posted on March 1, 2001 by Dan Gezelter

A molecular mass calculator for Unix/X11 Find XMolCalc at: http://www.unizh.ch/oci/group.pages/hesse/xmolcalc/index.html

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Posted in Chemistry | Leave a comment

XNBC

Posted on March 1, 2001 by Dan Gezelter

XNBC is a software package for simulating biological neural networks. Find XNBC at: http://www.b3e.jussieu.fr/xnbc/

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Posted in Artificial Life | Leave a comment

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

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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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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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