Package Descriptions for Ubuntu

Browsing French translation

  1. Series quantal
  2. Template “ddtp-ubuntu-universe”
  3. French (fr)
  4. Browsing French translation
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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
 
Description
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Les fonctionnalités comprennent[nbsp]:
* la modélisation moléculaire avec optimisation géométrique automatique basée sur le
champ de force[nbsp];
* la mécanique moléculaire, y compris les contraintes et les recherches de conformères[nbsp];
* la visualisation des orbitales moléculaires et des isosurfaces générales[nbsp];
* la visualisation des vibrations et le traçage des spectres de vibration[nbsp];
* la prise en charge des cellules unitaires cristallographiques[nbsp];
* la génération d'entrée pour les paquets de chimie quantique gaussienne, GAMESS et MOLPRO[nbsp];
* une architecture de greffons et de script Python flexibles.
Translated and reviewed by Sylvie Gallet
Located in Package: avogadro
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This translation is managed by Ubuntu French Translators, assigned by Ubuntu Translators.

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