Fwd: Avogadro and MoleculeMaster

Development
1

To put this message into context, Noel O’Boyle forwarded me to this
new SourceForge project:

So I contacted the head developer and pointed out that he shares many
of the same aims as Avogadro – but we’re over a year ahead of him.

There are a few other related projects – I hope to convince at least
a few of them to join us or use libavogadro just to save work. I’d
really like to welcome more people to the community!

Cheers,
-Geoff

Begin forwarded message:

From: “Pete Davis” pdavis68@gmail.com
Date: November 13, 2007 9:38:36 AM EST
To: “Geoff Hutchison” ghutchis@users.sourceforge.net
Subject: Re: Avogadro and MoleculeMaster

Geoff,

I got some time last night to look over the code. I still haven’t
built everything yet. I’m hoping to do that at some point today.

I’m really impressed by how little code is involved in so much
functionality.

I have a lot of thoughts on how the extension stuff might be expanded.
I think with some minor changes, you could greatly enhance what the
extensions can do.

I’d like to get the code built, play around a bit, and get a better
handle on everything before I start making suggestions, though.

I also need to get a better handle on the Qt side of things. I don’t
have any experience with it.

As I said, I’ll be out of town next week, so I probably won’t have
much for you until after I get back. At this point, however, I’m
thinking I’d be better of joining you guys instead of wandering off on
my own with Molecule Master.

Pete

On Nov 12, 2007 10:35 AM, Geoff Hutchison
ghutchis@users.sourceforge.net wrote:

Message body follows:

Hi there,

I’m one of the developers for the Avogadro project:
http://avogadro.sourceforge.net/
Avogadro download | SourceForge.net

It seems like you’re just getting your project off the ground, but
many of the
aims you describe overlap with Avogadro. We already have made two
beta
releases and have covered many of your goals:

  • Plugin-based
  • Molecular mechanics (and soon MOPAC) optimization
  • Support for all major file formats (and most minor ones) via Open
    Babel
  • Strong rendering and 3D viewing/editing.
  • Work on a scripting system
  • Data support for many biomolecule tasks
  • Cross-platform (via Qt/Mac, Qt/Win, Linux, etc.)

Given what you say on your webpage http://moleculemaster.sourceforge.net/
you might take a look at our framework and plugins. I think you
might like
what we’ve already accomplished towards your roadmap. We also provide
libavogadro which gives interfaces to the rendering and editing
functions and
allows other programs to build whatever extensions they want on top.

In any case, I hope you’ll touch base – it seems you have more
biochemical
goals, which is one area Avogadro is currently weak. (None of the
current
active developers are biochemists.)

Cheers,
-Geoff

P.S. Our developer mailing list is avogadro-devel@lists.sourceforge.net

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