> Somebody told me that openbabel can get the hybridization of a molecule. > Anybody can tell me how I can get it?
I'm not quite sure what you mean by "hybridization of a molecule." I assume you mean, hybridization of atoms in the molecule. Yes, you can write a simple program to get the hybridization of all atoms in a molecule. You can also use the "molreport" format, which gives the hybridization: http://openbabel.org/wiki/Open_Babel_MolReport e.g., babel file.pdb file.molreport # or babel file.pdb -omolreport Hope that helps, -Geoff ------------------------------------------------------------------------------ The Planet: dedicated and managed hosting, cloud storage, colocation Stay online with enterprise data centers and the best network in the business Choose flexible plans and management services without long-term contracts Personal 24x7 support from experience hosting pros just a phone call away. http://p.sf.net/sfu/theplanet-com _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
