-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1
On Feb 26, 2008, at 5:31 PM, Ray Batchelor wrote: > I'm new to the list. I am very much a user, rather than a developer. > However, it was recommended to me that I post my question here to get > the most current feedback. > > I am interested learning about the best possibilities regarding > generating reasonable 3D (mol) data from (for example ) SMILES. > The announcement about FROG code prompted this interest. You can try out http://www.chembiogrid.org/cheminfo/smi23d/ Note that it will give a 3D structure - and not the lowest energy 3D structure. There's also a web form available at http://www.chembiogrid.org/ cheminfo/threed/d3 - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Writing software is more fun than working. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkfElSUACgkQZqGSLFHnnoTcOACg8SmCfGR61cXI/LvdNWFMci35 1Y0AoNE1y6cKjVxg4SxT0RcpusrGvmHy =Tbda -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
