> But what I need is to export the coordinates to POSCAR. Does either > openbabel or avogadro can export other coordinates to POSCAR files?
Yes. You just need to name the file POSCAR, and it should export in Vasp 5.x format. Open Babel has a few options to control the formatting. Hope that helps, -Geoff ------------------------------------------------------------------------------ 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
