UDock


About UDock

Udock is a free interactive protein docking system, intended for both naive and experienced users. UDock is developed at the Conservatoire National des Arts et Metiers, France, by the Centre d'Etudes et de Recherche en Informatique et Communications (CEDRIC), the Laboratoire de Genomique, Bioinformatique, et Chimie Moleculaire (GBCM) and the XLIM.

Download UDock

UDock is a free windows and linux standalone software. You can download the executable for Windows and Linux. Alternatively, you can download the source on the public repository.

How to use Udock

Two scenes are available:

The first one, the Docking scene, aims to offer a user-friendly way of calculating molecules positions based on energy computation. This is made possible thanks to the anchors and line constraints that the user can create by clicking on two different molecules and pressing left control in the same time. Those constraints can be applied to start energy computation when molecule are closer.

The Spaceship scene aims to deliver a gamification of the molecular exploration. The spaceship can be controlled by a game controller and throw projectiles. The latter aims to move molecule with the Collision tool and to add anchors on molecule with the Anchor tool.

Controls

The following controls are given for a QWERTY layout.

  • Change scene: Tab

Docking Scene (Default)

  • Camera:
    • Camera orientation: Mouse Right click
    • Camera rotate around: Mouse right click + left shift
    • Center on molecule: Mouse left double click on molecule
    • Front: W
    • Left: A
    • Back: S
    • Right: D
  • Molecule:
    • Rotate: Drag with mouse left click
  • Constraints
    • Apply scene constraint: Space
    • Add new anchor: Left control + left click on molecule
    • Add new line constraint: Add anchors on two different molecule

Spaceship Scene

  • Camera:
    • Orientation: Mouse right click / Game controller left and right stick
    • Front: W / Game controller right shoulder
    • Left: A
    • Back: S / Game controller right shoulder
    • Right: D
  • Spaceship:
    • Fire ball: A / Left Click / Game controller A
    • Change tool: 1 (Collision tool) / 2 (Anchor tool) / Game Controller B (Switch)
  • Constraints:
    • Apply scene constraint: Space / Game controller X

Acknowledgement

The following resources have been used for the development of this project:

This project would also not have been made without the help of the following libraries:

Udock v1