Also, Marvin from ChemAxon will allow you to draw a 2D structure in a similar way to ChemDraw then convert it to a 3D model. As Angel said, the stereochemistry may be broken in the process. I'm pretty sure Marvin is free for academic use. Don't know how much it costs otherwise.
*********************************************** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 [email protected] *********************************************** On Jun 4, 2009, at 1:22 PM, Angel Herráez wrote: > Hello nmckenna > > As far as I know, ChemDraw is a drawing package and, as such, only > does flat (2D) structures. Your problem is not only the carbons, but > the whole molecule. > > Apart from searching for corticosterone 3D models in the web, you can > either use a 3D modeling/drawing program (Avogadro comes to my mind) > or use a program or web server that does the 3D optimization starting > from the 2D model. > > Several options that I know: > > * Avogadro, a 3D editor > > * EASIEST: use Jmol to 3D optimize (not always works satisfactorily, > but for simple molecules usually does well; beware that > stereochemistry may be broken during the optimization). Open the 2D > model in a recent version of Jmol (app or applet) and in the pop-up > menu at the top there is "minimize" > > * in Windows, ChemSketch Freeware does 2D drawing and 3D > optimization. > > * find the Corina web server (a test free service) that will build 3D > models from either a 2D model that you draw online or a SMILES string > > * PubChem, among others, has a nice collection of ready-made models, > both 2D and 3D > > Lets us know your progress. BTW, your attachment was removed. > > > ------------------------------------------------------------------------------ > OpenSolaris 2009.06 is a cutting edge operating system for enterprises > looking to deploy the next generation of Solaris that includes the > latest > innovations from Sun and the OpenSource community. Download a copy and > enjoy capabilities such as Networking, Storage and Virtualization. > Go to: http://p.sf.net/sfu/opensolaris-get > _______________________________________________ > Jmol-users mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ OpenSolaris 2009.06 is a cutting edge operating system for enterprises looking to deploy the next generation of Solaris that includes the latest innovations from Sun and the OpenSource community. Download a copy and enjoy capabilities such as Networking, Storage and Virtualization. Go to: http://p.sf.net/sfu/opensolaris-get _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
