The contents of this directory are being updated, and will be available shortly.

In the meantime, inquiries can be emailed to moletools.ZAF@... via this link.

moo09pdbmark.awk 

	# parse OpenMOPAC2009 output for PDB atom labels,
	#       produce .mop input marked-up with parenthesized MOPAC comments
	# format taken from MOPAC2009, Version 9.007