linked to by 2 other blogs recently
The "how to" of molecular modeling in education and research
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A very nice review of the book (and blog!) by fellow blogger Henry Rzepa in Chemistry World. Much appreciated....
This screencast shows a Molecular Workbench simulation I made to illustrate the connection between entropy, volume, and temperature. Each simulation runs for 50 picoseconds (ps) and records how much time the two particles spend together (as a dimer) and apart...
Probably best viewed in full screen modeAlchemist requested a post on installing GAMESS on a linux system: after all "I[f] someone can not install a program, how he/she can use it?" Fair enough.If you have a mac or windows machine, pre-compiled versions of...
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Ever feel a tinge of guilt when you download a fantastic piece of software like Avogadro for free (). Me neither! Free software is my God-given right. Voluntary contributions? Upgrading to the expert version? Provide feedback? So long, suckers!That being said,...
linked to by 1The book is now available for purchase, at least in the States. You can order it directly from CRC Press or, for example, from Amazon.com (though not yet Amazon.co.uk). And why just one copy? Christmas is practically around the corner....
Nick Greeves has made a wonderful website called ChemTube3D. And I mean this quite literally, the site is full of wonders: Jmol-animated reaction mechanisms for the most important organic reactions.I especially like the way the usual 2D representations of reactions...
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After a recent question on Blue Obelisk Exchange and ChemPedia Lab about molecular drug design (see also cross-post) and a recent book about molecular modeling basics I thought it is time highlighting more information on that topic.Drug design principles, molecular...
Avogadro 0.9.7 was released on 18 July 2009. You can download Avogadro here. I have been less involved in the development of Avogadro in the last six weeks due to a major event in my personal life. Still this release has some great new features in it, several...
More on Avogadro and the Blue Obelisk.First, many apologies to Marcus Hanwell who is the real Doctor Who of Avogadro (but who has been temporarily transported through time and space due to his first child). It’s always great to see new people joining.Then...
