Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Submitted By: Noel O\'Boyle (baoilleach)
Assigned to: Nobody/Anonymous (nobody)
Summary: Comments on the GUI
Comments regarding the GUI version of OB 2.0:
(0)The zip file should create a folder called
openbabel-2.0a when extracted, not just open up into
the current folder. This can be quite a nuisance when
it is not the expected behaviour and is sometimes
referred to as a 'tar bomb'.
(1) There is no menu bar with "File, Exit". This is
(2) "Help, About" would probably also be useful so that
people know exactly what version (and build) they are
running...good for bug reports, giving the appropriate
(3) When you start the GUI, the current folder name is
always written under "INPUT", but when you click on
"..." it switches to the last folder where you opened a
file (or "My Documents" when you run the GUI for the
(4) It seems that the "All Chemical Formats" filter in
the Open dialog (under INPUT) does not include .SMI --
which makes it difficult to find the examples provided
(5) Shouldn't an error be raised when I try to convert
150mols.smi to 'sd', after telling OpenBabel that the
Input is in "ShelX" format? (although it's possible I
didn't tick the box to enfore this format - I think
though, that if I select something in the drop down box
it should be used automatically, and that the default
should be "use file extension" in the drop down box,
rather than having a separate check box)
(6) If I delete the listed file content in the text box
under input, it has no effect on the conversion - you
should prevent deletion in this text box, then, unless
they tick "Enter input data manually below". Also, if I
unselect "Enter data manually", the text box is not
updated to show the contents of the specified file.
(7) There is no minimise button on the GUI.
Disconcerting as the GUI is very wide.
(8) The example 4mols.smi is not converted correctly to
sd. I get a molecule with zeros for all coordinates.
This also occurs for the commandline version. You
should have an example that works as expected (maybe
this is correct?), as it is the first thing that people