Thank you, Geoff! But what I need is to export the coordinates to POSCAR. Does either openbabel or avogadro can export other coordinates to POSCAR files?
Thank you in advance! Murphy -- View this message in context: http://forums.openbabel.org/How-to-convert-fractional-format-to-POSCAR-tp4656213p4656215.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Try New Relic Now & We'll Send You this Cool Shirt New Relic is the only SaaS-based application performance monitoring service that delivers powerful full stack analytics. Optimize and monitor your browser, app, & servers with just a few lines of code. Try New Relic and get this awesome Nerd Life shirt! http://p.sf.net/sfu/newrelic_d2d_apr _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
