OpenScience / Software / Chemistry



The Brenner Potential

Posted on February 23, 2001 by Dan Gezelter

C code for Brenner Potential Molecular Dynamics Find The Brenner Potential at: http://www.rahul.net/pcm/brenner/

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KMovisto

Posted on February 23, 2001 by Dan Gezelter

a free molecule viewer for LINUX and other UNIX platforms Find KMovisto at: http://members.tripod.de/PageOfMH/index.html

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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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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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nMOLDYN

Posted on February 23, 2001 by Dan Gezelter

nMOLDYN is a modular program package for the analysis of Molecular Dynamics simulations. It is especially designed for the computation and decomposition of neutron scattering spectra. Find nMOLDYN at: http://dirac.cnrs-orleans.fr/plone/software/nmoldyn/

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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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ORAC

Posted on February 23, 2001 by Dan Gezelter

ORAC is a program for running classical simulations of biomolecules. Simulations can be carried out in the NVE, NPT, NHP, and NVT thermodynamic ensembles. Find ORAC at: http://www.chim.unifi.it/orac/

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Java CML Filter Library (JCFL)

Posted on June 14, 2000 by Dan Gezelter

The Chemical Markup Language (CML) is a XML application for storing and transporting chemical information. The library makes use of the Chemical Data Object Programming Interface (CDOPI). Using the JCF Library means that the Java program must define a class … Continue reading →

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OpenChem

Posted on April 29, 2000 by Dan Gezelter

A python-based program for investigating nanotechnology, molecular structures, machines, and phenomena Find OpenChem at: http://www.openchem.org/

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JChemPaint

Posted on April 29, 2000 by Dan Gezelter

A Java program for drawing of 2D chemical structures Find JChemPaint at: http://jchempaint.sourceforge.net

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