Initial pass of release notes

I added an initial draft for the 0.8 release notes:
http://avogadro.openmolecules.net/wiki/Avogadro_0.8.0

Please edit if there are improvements and/or bug fixes which I’ve
missed.

Thanks,
-Geoff

Hi.

It may be worth mentioning that MM was greatly improved but that in this
release, hypervalence is not yet implemented. Try PCL5 for instance.

It really is a much imporved version.

									Louis

Le 16 mai 08 à 17:40, Geoffrey Hutchison a écrit :

I added an initial draft for the 0.8 release notes:
http://avogadro.openmolecules.net/wiki/Avogadro_0.8.0

Please edit if there are improvements and/or bug fixes which I’ve
missed.

Thanks,
-Geoff


This SF.net email is sponsored by: Microsoft
Defy all challenges. Microsoft® Visual Studio 2008.
http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

It may be worth mentioning that MM was greatly improved but that in
this
release, hypervalence is not yet implemented. Try PCL5 for instance.

Hypervalence is fine. See for example SF6. :slight_smile:

Five-coordinate and seven-coordinate molecules do not have parameters
(or typing rules) in UFF. So far, Open Babel has tried to stick to the
published UFF force field. You are correct that I’d like to get some
UFF parameters for 5-valent compounds before release.

Cheers,
-Geoff

This is probably a minor thing, so you decide whether it fits in the “many
other small fixes” category:

  • improved POVRay export

Cheers,
Benoit

On Friday 16 May 2008 17:40:51 Geoffrey Hutchison wrote:

I added an initial draft for the 0.8 release notes:
http://avogadro.openmolecules.net/wiki/Avogadro_0.8.0

Please edit if there are improvements and/or bug fixes which I’ve
missed.

Thanks,
-Geoff


This SF.net email is sponsored by: Microsoft
Defy all challenges. Microsoft® Visual Studio 2008.
http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel