> seems that the most matching format of POSCAR that avogadro can offer is > fractional format, therefore I have to convert fractional format to POSCAR > format.
Open Babel and Avogadro will read POSCAR files directly. Also supported include CIF, the free-form fractional, and a variety of other formats. (http://openbabel.org/wiki/Free_Form_Fractional) Hope that helps, -Geoff ------------------------------------------------------------------------------ Precog is a next-generation analytics platform capable of advanced analytics on semi-structured data. The platform includes APIs for building apps and a phenomenal toolset for data science. Developers can use our toolset for easy data analysis & visualization. Get a free account! http://www2.precog.com/precogplatform/slashdotnewsletter _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
