[Debichem-devel] Metapackages for DebiChem?

[Michael Banck]

On Wed, Jul 14, 2010 at 09:15:46AM +0200, Andreas Tille wrote:
> On Tue, Jul 13, 2010 at 10:27:39PM +0200, Filippo Rusconi wrote:
> > 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. 
> 
> IMHO, they could be merged and my suggestion for the metapackage name
> would be
> 
>      debichem-visualisation

There are two destinct sets of features here IMO:

a) Viewers which display molecules as stored in the well-known molecular
data file formats (mostly .xyz and .pdb, plus others)

b) Viewers which display molecules and their properties by parsing and
extracting data from calculation output files (Gaussian output, Molpro
output, etc.)

The latter are much more specialized and usually also more heavy-weight
than the former.


Michael