The Gnome Chemistry Utils 0.15.0

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The Gnome Chemistry Utils 0.15.0

Jean Brefort-2
Hi,

This is the first development version of the 0.15 series. As usual, it
is provided mainly for tests, it is not stable and might crash at any
time and loose your data, although I already fixed all crashes I could
reproduce.

You might have noticed that there was an unusually long time since the
last development release. There are several facts that might explain
this. The main issue is that, after 13 years or so, this is still a one
man project, and my motivation is probably not as strong as it used to
be. I'll most probably retire from professional life in fall 2016. By
this time I would like to have released the next (and may be last)
stable version which I'll probably name 1.0 even if it is still not as
good as I would like. My priorities are:
GChemPaint:
- a better support for multi-step reactions, including cycles.
- may be support for some mathml display (might be useful for
thermodynamics cycles).
- enhanced supports for fragments (atoms groups) where every symbol
should be analyzed, not just one as things currently behave.
GSpectrum:
- allow for chart customization and inserts (this should be easy since
the goffice code already supports that, but I think that the current
editor is not so good for GSpectrum).
GCrystal and GChem3D:
- better import of cif and cml files, especially, use of ionic radii for
ions instead of van der Waals radii.
- Find a solution to not directly call glx or xlib stuff so that port to
other platforms becomes easier.
- Implement atoms selection (not sure I'll find the motivation for
that).

More if time, health, and motivation permit.


Main news for 0.15.0 are :

GChemPaint:
* Reaction arrow now accept several attached objects grouped by steps
(numbered) and lines.

Gnumeric plugin:
* new functions: monoisotopicmass(), chemcomposition(), elementnumber(),
elementsymbol().

Other:
* Allow for deprecated Gtk+ calls so that things should build with Gtk+
>= 3.9. The drawback is a lot of warnings.

Sources can be downloaded at:
http://download.savannah.gnu.org/releases/gchemutils/0.15/gnome-chemistry-utils-0.15.0.tar.xz
http://download.savannah.gnu.org/releases/gchemutils/0.15/gnome-chemistry-utils-0.15.0.tar.bz2

Brest regards,
Jean




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