http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=QMGA 2026-04-28T07:35:13Z Revision history for this page on the wiki MediaWiki 1.41.0 http://www.sklogwiki.org/SklogWiki/index.php?title=QMGA&diff=10386&oldid=prev 2010-06-09T12:02:32Z

<p>New page: &#039;&#039;&#039;QMGA&#039;&#039;&#039; &lt;ref&gt;[http://dx.doi.org/10.1021/ct700192z Adrian T. Gabriel, Timm Meyer, and Guido Germano &quot;Molecular Graphics of Convex Body Fluids&quot;, Journal of Chemical Theory and Computati...</p> <p><b>New page</b></p><div>&#039;&#039;&#039;QMGA&#039;&#039;&#039; &lt;ref&gt;[http://dx.doi.org/10.1021/ct700192z Adrian T. Gabriel, Timm Meyer, and Guido Germano &quot;Molecular Graphics of Convex Body Fluids&quot;, Journal of Chemical Theory and Computation &#039;&#039;&#039;4&#039;&#039;&#039; pp. 468-476 (2008)]&lt;/ref&gt; is a customized OpenGL-based program for the interactive, rendered representation of large ensembles of convex bodies, useful especially in [[Liquid crystals |liquid crystal]] research. [[Coarse graining |Coarse-grained modelling]] of molecular fluids is often based on non-spherical convex rigid bodies like [[Hard ellipsoid model |ellipsoids]] or [[Hard spherocylinders |spherocylinders]] representing rodlike or platelike molecules or groups of atoms, with [[Intermolecular pair potential |site-site interaction potentials]] depending both on the distance among the particles and the relative orientation. In this category of potentials, the [[Gay-Berne model |Gay-Berne]] family has been studied most extensively. However, conventional molecular graphics programs are not designed to visualize such objects. Usually the basic units are atoms displayed as spheres, or as vertices in a graph. Atomic aggregates can be highlighted through an increasing amount of stylized representations, e.g., Richardson ribbon diagrams for the secondary structure of a protein, Connolly molecular surfaces, density maps, etc., but ellipsoids and spherocylinders are generally missing, especially as elementary simulation units. <br /> ==References==<br /> &lt;references/&gt;<br /> ==External links==<br /> *[http://qmga.sourceforge.net/ QMGA home page]<br /> <br /> [[Category: Materials modelling and computer simulation codes]]</div>

Carl McBride