I'll make sure to make the .gz bit (vs. .zip...) clearer in the
release documentation and the user docs.
I'm not quite sure what you mean about "having .gz added
automatically." I assume you mean with the "-z" flag for compressing
output, a ".gz" should be added. I'm certainly open to suggestions
here -- the current code takes the view that the code should do what
the user requested: create the file as named.
babel 1ABC.pdb -z 1abc.mol2.gz # results in a proper .gz file
babel 1ABC.pdb -z 1abc.mol2
# results in a gzip file with a .mol2 extension (not necessarily
good, but isn't that what the user requested?
babel *.pdb -omol2 -z -m # should batch convert all .pdb files to
mol2 and automatically add the .mol2.gz extension.
> My fault, I gave the file a .zip extension. This opened fine so I
> could check the result but obviously was not suitable as an input
> for babel. Would it be worth having .gz added automatically?