I've reactivated http://depict.emolecules.com, which generates nice 2D pictures using OpenBabel's --gen2D feature. Our intent is to keep this service running from now on. The terms of use still say it's experimental, but that's mostly a precaution.
For those of you who haven't discovered it yet, we're also offering the entire eMolecules collection of compounds (currently about 7.6 million compounds) for free, in both SMILES and SDF formats. This is an excellent resource for virtual screening, because unlike many other public databases, we keep eMolecules up to date with currently-available compounds. If your virtual screening turns up something interesting, then it's a good bet you can actually buy it. You can find this at: http://www.emolecules.com/doc/plus/download-database.php We're also in the process of generating multiple 3D conformers for the entire collection. We decided that one of our backup servers, with its 8 CPUs, could be put to good use on this task, and our UC San Diego intern, Marshall Levesque, pulled together all the pieces for this job. Marshall's computations have been burning up the electrons for about four weeks now, and should be finished soon. Craig P.S. I'm cross-posting this to both OpenBabel and Blue Obelisk ------------------------------------------------------------------------------ Crystal Reports - New Free Runtime and 30 Day Trial Check out the new simplified licensing option that enables unlimited royalty-free distribution of the report engine for externally facing server and web deployment. http://p.sf.net/sfu/businessobjects _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
