> I have a small doubt regarding lattice preparation from unit cell of a > molecule. Is there any command in Openbabel, which can generate lattice (3X3) > If I will give the pdb file with CRYST1 record. I know fillUC can give unit > cell.
Apologies for the delay -- I've been traveling. My suggestion would be to use Avogadro (http://avogadro.openmolecules.net/) which uses Open Babel, but then will offer a GUI to build such a supercell. Hope that helps, -Geoff ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_nov _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
