molgrep example
Added by Ivan Tubert-Brohman, itub@cpan.org

usage: ./molgrep.pl <SMARTS pattern> <file(s)...>

prints to STDOUT a table with the filenames, names, formulas, and SMILES
strings for the matching molecules in the files given in the command line


FILES

molgrep.pl  - the program
output.txt  - the result of running ./molgrep.pl CCC *.smi *.pdb *.mol


Some files with molecules, borrowed from the other examples:

acid_chlorides.smi
ala.mol
amines.smi
example.pdb
gly.mol
input.smi
lava.mol
leu.mol
output.smi
val.mol