[Kalzium] Fwd: [Avogadro-devel] Avogadro v0.1.0

[Carsten Niehaus]

----------  Weitergeleitete Nachricht  ----------
The Avogadro project is proud to announce the availability of Avogadro
0.1.0, the first official beta release. 

Avogadro is an advanced, cross-platform molecular editor designed for
flexible use in computational chemistry, molecular modeling,
bioinformatics, materials science, and related areas. Packages are
available for Mac OSX, Windows and Linux, as well as open source
provided under the GNU GPL.

This release represents planning and six months of development and is a
landmark step by the development team, a diverse community of chemists,
mathematicians, physicists and computer scientists. Development thus far
has focused on creating a flexible tool for end users that is also an
extensible framework, allowing users to provide their own plugins and
scripts for rendering, manipulation and computation. The purpose of this
release is to demonstrate the current framework for users, and to
provide feedback to the development community. 

Avogadro includes a collection of standard plugins which make editing
molecular models an easy and painless operation. Visually, Avogadro has
been designed to allow a high-quality, dynamic view of molecular
information by providing a layered approach to three dimensional
rendering. This allows users to create multiple views customized to
their preference and extensible overlays of data.

For developers, the framework provided by Avogadro frees you from many
of the common tasks required for handling molecular models such as
reading, writing and manipulating those models. Built on the Open Babel
chemistry toolbox, Avogadro is able to read and write over 80 different
molecular formats. Almost everything is a dynamically-loaded plugin.
Development with Avogadro is handled through simple and intuitive APIs
to provide programmers with easy mechanisms for extending functionality.

For more information and to download Avogadro, please see the links
below.  Be aware that this is a Beta release and bugs do exist, and not
all intended features are complete. Review the release notes for more
information on current issues and limitations of this release.

We hope you will contact the development team with any questions,
comments or concerns. In particular, if you would like to contribute, or
find out how to use Avogadro to fit your needs, we hope to hear from
you.

Thanks,
The Avogadro Project
http://avogadro.sourceforge.net/wiki/
http://sourceforge.net/projects/avogadro


Download:
http://sourceforge.net/project/showfiles.php?group_id=165310

Release Notes:
http://avogadro.sourceforge.net/wiki/Avogadro_0.1.0



Features
--------
-Drawing of molecules from scratch (atoms, bonds) 
-Import and export of over 80 chemical formats through OpenBabel 
-Manipulation of molecular structures 
-Geometric Optimization through OpenBabel forcefield support. 
-Export to image.
-Engine overlay system for three dimensional viewing:
	-Wireframe 
	-Ball and Stick 
	-Van Der Wall Spheres 
	-Atom Labels 
-Tools for interaction in three dimensions:
 -Selection 
  -Select Molecule 
  -Select Atom 
  -Select Area 
 -Navigation 
  -Scale (Zoom) 
  -Rotation 
  -Move 
 -Draw 
  -Draw Atom 
  -Draw Bond 
  -Change Atom Type 
  -Delete Atom 
 -Manipulation 
  -Rotate Selection 
  -Move Selection 
 -Measure 
  -Measure Distance 
  -Measure Angle 
-Extensions
 -Select by SMILES/SMARTS pattern
 -Add/Remove Hydrogens 
 -Geometric Optimization of Molecule Structure using OpenBabel Forcefields 
 -GAMESS Input Deck Generation

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

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