[Debichem-devel] Metapackages for DebiChem?

[Filippo Rusconi]

Hello, Andreas,

On Fri, Jul 09, 2010 at 12:37:38PM +0200, Andreas Tille wrote:

> Because I'm not e chemist I have done the categorisation with the help
> of Michael Banck, but I know more work has to be done to include all
> relevant packages.  For example massxpert is missing from this list and
> probably more.  Moreover I have no idea how you will like the way
> of categorisation and the according descriptions.

I see two categories:

Output & visualization -  DebiChem 3D Viewers and Calculation Output
Visualization   (45*)

3d structure viewers - DebiChem 3D Structure Viewers 

and I wonder if these could not be merged. 

Regarding massXpert and mmass, these two pieces of software allow
editing polymer sequences and making mass spectrometric simulations on
these (mmass is also a powerful mass spectrum viewer). Lutefisk is a
simulations-only program of mass spectrometry.

I certainly would welcome a Polymer chemistry section where to put
these two software.

But I would certainly also welcome a Mass spectrometry section...

These two categories are certainly of great significance in
chemistry/biochemistry. Is it thinkable to have two tasks encompass
one or more same packages ?

Sorry if I am not finding complete solutions to these problems :-)

Best regards,
                 Filippo

-- 
Filippo Rusconi, PhD - CNRS - public key C78F687C
Author of ``massXpert''     at http://www.massxpert.org