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On Jul 31, 2008, at 10:47 AM, Egon Willighagen wrote: > On Thu, Jul 31, 2008 at 4:37 PM, Rajarshi Guha <[EMAIL PROTECTED]> > wrote: >>> 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? > > Valid questions; can't quickly find it in the paper... In any case, no harm in rerunning the 3D coord generation and conf analysis - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- Q: What do you get when you cross a Post Modernist with a Mafioso? A: An offer you can't understand. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkiR0Q8ACgkQZqGSLFHnnoQ1dQCbB/dOznDCcAb69MAznl50wK5+ KEAAniceRxIwNEDx1a04v5ExQy8SdW0s =pdsw -----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
