Bok
12-20-2007, 12:14 PM
Last night I resolved the mailer. Now I have multiple threads to this developement: 1) Explore shar as a self extracting solution for linux and macs and potentially windows, I notice our linux platform is faultering. I could fix that within the confines of pyinstaller ports or try something new with shar. 2) Optionally send result file of custom workunit to initiator. Yoyo and Nicolas gave some ideas. 3) Improve the summary of results by including several additional MGLTools scripts. This is where I make the case, I need to improve the distribution method before adding more complications to the mix. 4) Integrate a molecular viewer applet to view results. This is more of a dream right now. I've seen many viewers available on RCSB.ORG but don't have a clue where to begin. If anyone has interest in doing the leg work on that and emailing some info. 5) Use monikers to querry molecules. I don't know where to begin with that but not the greatest priority. 6) Screensaver that peaks at simulation. Something that would entice more people. 7) Integrate a molecular dynamics simulation that approximates transition state structures. This is critical to the science of the project. I am floating the idea among chemists I meet. Of course, I am still looking to improve the site in other ways, make it more professional and use a secure implementation of captcha for registration. -Jack
More... (http://hydrogenathome.org/all_news.php#60)
More... (http://hydrogenathome.org/all_news.php#60)