Mola

MOLA is a software for Virtual Screening using AutoDock4/Vina in a computer cluster using non-dedicated multi-platform computers. MOLA is integrated on a customized Live-CD GNU/LINUX operating system and is distributed as a MOLA.iso file.

To use MOLA just follow these steps:

    1. Download the iso file MOLA.iso (big file, please be patient)
    2. Burn the iso file to a CD.
    3. Restart the master node computer from the CD.
    4. Follow the instructions of MOLA tutorial available here. Once you restart the computer the tutorial will also be available in the 'home/user' folder

For more information consult the paper:

• Rui M.V. Abreu, Hugo J.C. Froufe, Maria João R.P. Queiroz, Isabel C.F.R. Ferreira. MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters. Journal of Cheminformatics, 2010, 2, 10.

Or contact:

• Rui Abreu       This email address is being protected from spambots. You need JavaScript enabled to view it.
• Hugo Froufe    This email address is being protected from spambots. You need JavaScript enabled to view it.