File conversion example Added by Ivan Tubert-Brohman (itub@cpan.org) This sample program is called 'pbabel' because it is inspired by the Babel program and it is written in Perl using PerlMol. USAGE ./pbabel.pl [options] Options: -i -o -3 build 3d coordinates -b find bonds -a aromatize -K don't kekulize (only for reading SMILES) -u unique (only for writing SMILES) -n include name (only for writing SMILES) Available file formats: dumper formula formula_pattern mdl midas mop pdb sdf sln smarts smiles xyz FILES pbabel.pl - the program amines.sdf - sample sdf file amines.smi - sample sdf file, generated with ./pbabel.pl -nu amines.sdf x.smi