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] <input file> <output file>
Options:
-i <input format>
-o <output format>
-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