Part of the Avogadro 1.1 release is significantly improved crystallography support, in large part because of work by David Lonie.
I'd like to make this even clearer by including a crystal library like the fragments library, e.g.: crystals/ elements/ oxides/ sulfides/ ice.cif … I'm gathering a good number myself, but I'm open to suggestions. I'd like to have fairly good coverage of basic structure types (e.g., NaCl, CsCl, anatase, rutile…) and common materials (e.g., quartz, Al2O3, GaAs, etc.) It might be nice to throw in "interesting" materials like the YBCO superconductor if there's a freely-distributable CIF available. Suggestions? -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ 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
