[ghemical-devel] v1.0 is now more or less ready (no more console input!)

[Tommi Hassinen]

Hi all.

During this week I have been working to convert the console inputs into
command strings; the operations that earlier required console input were

	- adding plane/surface/etc objects.
	- conformational search (random/systematic/montecarlo).
	- creation of 1D and 2D "energy vs. torsion angle" plots.
	- the use of sequence builder.
	- setting the current orbital to plot orbital plots.
	- adding light objects.

Ok, now none of these use console anymore. If the operation is selected
from the popup menu, a "Command Interpreter" dialog is opened with a
relevant default command string that will handle the operation. If the
user doesn't like the default settings, he/she just modifies the command
string and then accepts it (sometimes one HAVE to modify the default
string some way, for example in the "set current orbital" operation; in
that case, a message dialog is also displayed and the user is informed
about those necessary changes).

Now I have done pretty much everything that I have planned for v1.0 (and
for which I have chances to work on this autumn) so the release will then
happen sometime in November. Before the release of v1.0 I would like to
do the following tasks/improvements:

	1) test the new logbox/command string system. if some relevant
		information is not yet printed to the logbox then just
		fix it, and if there are any bugs/problems fix them.

	2) replace the current User's Manual with Christopher's new and
		improved documentation.

	3) update the openbabel/ source directory with a current version
		of OpenBabel (Geoff and Michael, do you have any chances
		to look at this some time during November?).

	4) anything else?

BTW, today (Friday) the bioinformatics.org server seems to be down but I
hope it recovers soon...

Good weekends,

	Tommi