Confab

Confab is a command-line application to systematically generate diverse low-energy conformers for molecules.

Confab is an open source conformation generator whose goal is the systematic coverage of conformational space.

The algorithm starts with an input 3D structure which, after some initialisation steps, is used to generate multiple conformers which are filtered on-the-fly to identify diverse low energy conformers.

• Site web : https://code.google.com/p/confab/
• Versions installées :
  • 1.0.1

Pour sélectionner la version voulue : utiliser les modules

Par exemple :

module load confab

La partie interface graphique est installée (commande OBGUI).