Both would be nice. The crystals are interesting in some cases due to intermolecular forces. I had a student maybe 10 years or do an undergraduate pchem project (probably using dgauss) on the structure of aspirin.... He could not get good agreement on the molecular structure without including the H-bonded dimer as present in the crystal.
Steve ----- Original Message ----- From: Geoff Hutchison <ge...@geoffhutchison.net> Date: Tuesday, August 16, 2011 6:04 pm Subject: Re: [Avogadro-Discuss] Crystal Library To: avogadro-discuss@lists.sourceforge.net > > On Aug 16, 2011, at 3:30 PM, Steve Williams wrote: > > > How about some common OTC drugs like aspirin, ibuprofen, or similar. > > You want the molecules or the crystals? > > -Geoff > > -------------------------------------------------------------------- > ---------- > Get a FREE DOWNLOAD! and learn more about uberSVN rich system, > user administration capabilities and model configuration. Take > the hassle out of deploying and managing Subversion and the > tools developers use with it. http://p.sf.net/sfu/wandisco-d2d-2 > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > ------------------------------------------------------------------------------ Get a FREE DOWNLOAD! and learn more about uberSVN rich system, user administration capabilities and model configuration. Take the hassle out of deploying and managing Subversion and the tools developers use with it. http://p.sf.net/sfu/wandisco-d2d-2 _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
