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avogadro

Molecular Graphics and Modelling System

Variants:
Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder.

Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting

File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output.

Homepage:
Package version:1.0.3-5
Architecture:sparc
Distribution:Debian
Filename:avogadro_1.0.3-5_sparc.deb

/usr/share/doc/avogadro/examples/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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/usr/share/man/man1/avogadro.1.gz

UNTITLED                        LOCAL                       UNTITLED

NAME
     avogadro — Advanced molecular editor

SYNOPSIS
     avogadro filename

DESCRIPTION
     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 powe
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/usr/share/man/man1/avopkg.1.gz

avopkg(1)              User's Reference Manual             avopkg(1)

NAME
     avopkg — Avogadro Package Manager

SYNOPSIS
     avopkg [-pack] filename

DESCRIPTION
     Avopkg is a command-line tool for easy packaging and installa‐
     tion of Avogadro plugins on Unix platforms

OPTIONS
     -pack manifest
           Create package using manifest as package description file

     file  Inst
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/usr/share/doc/avogadro/changelog.Debian.gz

avogadro (1.0.3-5) unstable; urgency=low

  * debian/control (Uploaders): Removed Jordan Mantha. Tha
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/usr/share/doc/avogadro/changelog.gz

2011-04-25  Marcus D. Hanwell <marcus.hanwell@kitware.com>

  * cmake/modules/FindNumpy.cmake: Sync 
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/usr/share/doc/avogadro/copyright

This package was debianized by Jordan Mantha <mantha@ubuntu.com> on
Sat, 10 Nov 2007 16:09:59 -0800

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/usr/share/doc/avogadro/examples/COPYING

Copyright (c) 2006 Jerome Pansanel <j.pansanel@pansanel.net>
All rights reserved.

Redistribution an
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