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avogadro_1.0.1.orig.tar.gz

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/avogadro-1.0.1/README

  Avogadro is an advanced molecular editor designed for cross-platform use 
in computational chemistry, molecular modeling, bioinformatics, materials 
science, and related areas. It offers flexible rendering and a powerful 
plugin architecture.

* Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X.
* Free, Open Source: Easy to install and all source code is available under 

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/avogadro-1.0.1/avogadro/gl2ps/README.txt

This is GL2PS, an OpenGL to PostScript (and PDF, and SVG...) printing
library.

GL2PS is available at http://geuz.org/gl2ps/ and is released under
the GNU Library General Public License (see COPYING.LGPL). GL2PS can also
be used under an alternative license that allows (amongst other things, and
under certain conditions) for static linking with closed-source software
(see COPYING.GL2PS).

Examples
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/avogadro-1.0.1/testfiles/VASP-8LiH/readme

This is a sample of a VASP input set. The POSCAR contains the positions of the atoms and unit cell parameters. The other important file (not included) is the CONTCAR file, which contains the output cell and positions in the same format as the POSCAR.

Information on the files can be found here:

http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html

Currently, OpenBabel will open either the POSCAR and C
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/avogadro-1.0.1/ChangeLog

2010-05-02  Marcus D. Hanwell <marcus@cryos.org>

  * libavogadro/src/elementtranslator.cpp: Updated
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/avogadro-1.0.1/scripts/installer/Changelog.txt

Version 1.0

- The file extension ".cml" is registered to be opened with Avogadro when
   double-
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/avogadro-1.0.1/avogadro/gl2ps/TODO.txt

$Id: TODO.txt,v 1.1 2009-10-02 22:09:34 geuzaine Exp $

* Add an option to limit the recursion level
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/avogadro-1.0.1/libavogadro/src/python/TODO

O/D = function Overloading / Default arguments

Animation               done              O/D + doc

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/avogadro-1.0.1/AUTHORS

All contributors, in alphabetical order:

Shahzad Ali <saky.org@gmail.com>
Michael Banck <mbanck@gmx
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