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Kamis, 27 Oktober 2011

Molegro Virtual Grid - Overview

Molegro Virtual Grid creates an infrastructure for distributing docking runs on multiple machines.

By simply installing the MVG agent on a computer, its resources can be used transparently by the grid controller. Virtual Grid support is built into Molegro Virtual Docker: for instance, to dock a library of compounds against a receptor, simply setup a compound data source, and select 'start job on Virtual Grid' in the Docking Wizard.

Molegro Virtual Grid is multi-core aware and can be installed on any platform: Linux, Windows, and Mac. The machines in the grid do not need to run the same operating system.

screenshot of the main user interface
To the left the MVG Controller interface shows the progress of a docking run.
To the right the maximized MVG agent GUI is shown.
The agent either runs as an icon in the task tray, in the maximized state, or without GUI.
Molegro Virtual Grid license types
BasicThis license is freely included with every Molegro Virtual Docker license. It is limited to executing docking runs on a single machine (but multiple cores may used to execute multiple runs simultaneously).
A typical scenario is setting up and preparing docking runs on a laptop, while executing the docking runs on a more powerful, remote machine. The basic license can also be used to distribute docking runs to multiple CPU-cores on the same machine as MVD is running on.
ExtendedThe extended MVG license makes it possible to distribute jobs to an unrestricted number of machines. Notice that additional licenses for Molegro Virtual Docker are not required. All that is needed to setup a virtual grid is one Molegro Virtual Docker license and one extended Molegro Virtual Grid license.

The latest version of MVG is 1.1 (released June 9th, 2010).

Features at a glance

  • Distribute MVD docking runs on multiple machines.
  • Simple management using the controller GUI.
  • Simple installation on any platform: Windows, Mac, and Linux. Machines on the grid do not need to run the same platform.
  • Automatic detection of running grid agents.
  • May run in the background on otherwise idle desktop machines.
  • Filter and reduce the results before analysing them in MVD.

Obtaining MVG

Molegro Virtual Grid is distributed together with Molegro Virtual Docker. If you have a licensed or trial version of MVD, you can use the basic version of Molegro Virtual Grid right away.

To obtain the extended license, please contact Molegro or one of our distributors for a full featured trial-version or to get a sales quote.

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