Rolf Huehne wrote: > On 12/12/2012 12:40 AM, LMH wrote: >> I was thinking of using ruby on rails or ruby sinatra to create the >> webpage (instead of php). This is in part because I am using ruby to >> access the sqlite database. I think that it will not be too bad to >> render the rest of the data in a browser, I just don't know how to >> display the structure. >> >> I guess that the main issue is finding a solution that will easily allow >> the mixing of content on the page. Something like code that will just >> "display this structure here" would be nice. >> > Wouldn't it be much more efficient to precompute the images for all > structures in the database (if the number is not extremely large like a > million or so) and then just present tables of images? > For the user it will presumably be much faster, especially after the > images were cached. The gain will of course depend on the image size > compared to the speed of the structure drawing application. > > We do this for example for the JenaLib > (http://www.fli-leibniz.de/IMAGE.html) with Jmol for all about 90,000 > structures resulting in about 300,000 precomputed images. > > Regards, > Rolf > >
That would certainly be one option, especially if the .jpg files could be created with a scriptable tool. What generally happens is that I get an sdf from a vendor with 10-200,000 thousand structures in it. I run a variety of tools to check if any of the structures may be ones that I am interested in. Some of this is automated, but at the end of the day I need to look at structures. I need to have the newly available structures displayed along with the ones I already have in a specific order. As long as the creation of .jpg files can be automated, then that would be fine. I would just add that step to my tool chain. LMHmedchem ------------------------------------------------------------------------------ LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial Remotely access PCs and mobile devices and provide instant support Improve your efficiency, and focus on delivering more value-add services Discover what IT Professionals Know. Rescue delivers http://p.sf.net/sfu/logmein_12329d2d _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
