> downloaded through SVN (20 July 2010), fails to assign correct atom > types to pyridinium ion; namely, aromaticity is not perceived, and all
In what form are you importing the molecule? SMILES? PDB? If there is no assigned formal charge to the pyridinium nitrogen, then there is no guaranteed method to ensure it is typed correctly. Best regards, -Geoff ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
