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On Jul 31, 2008, at 10:19 AM, Egon Willighagen wrote: > On Thu, Jul 31, 2008 at 4:10 PM, Rajarshi Guha <[EMAIL PROTECTED]> > wrote: >> First need the appropriate structrues > > See: > > http://www-jmg.ch.cam.ac.uk/data/solubility/ > > BTW, the file has 3D coordinates, and look at the first entry, the > planar napthol: Hmm, where did they come from? They can't be CCDC structures (?). If not, how were they generated, was solvent used etc? - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Does Ramanujan know Polish? -- E.B. Ross -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkiRzjEACgkQZqGSLFHnnoSPLwCfVUwE5eQAqMqbKKR/jpTiASHI +vYAoKLxju38APf8ketBIXPYizTpJ0kq =mCMB -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
