The three mode of interaction are : modifying the position of a grapnel, pulling the molecule toward the spaceship, pushing the molecule. You can change the mode of interaction with the 'r' key. You can direct the view with the mouse and interact with the molecule by left clicking. you can roll around the forward axis with the 'q' and 'e' key. You can move the spaceship by using the 'w','a','s','d' key. Spaceship controlīy pressing the 'tab' key, you can switch to the spaceship mode. You can move forward by pressing the right trigger and backward by pressing the left one. Note that you can change the mouse sensitivity and inverse the y-axis inside the option menu.Īlternatively, if you have a xbox gamepad connected, you can move the camera laterally with the left stick and rotate it with the right stick. You can also look around the focus (represented by a yellow sphere) by moving the mouse while shift + right-clicking. You can move the camera in a first person fashion by using the 'w','a','s','d' key to change the position of the camera, and move the mouse while right-clicking to look around.

You can save the current conformation of your complexes by pressing the save button, a corresponding PDB file will be created in the savefile directory. Once the optimization is done, the molecules positions will be frozen for your convenience, you can unfreeze them by pressing the corresponding button on the menu. Note that you can select which will move by selecting it in the menu. The geometry of the complex can be automatically optimized at any time by pressing the 'o' key. Once satisfied with the grapnels positions, you can drag them together by pressing the 'space' key. You can adjust their positions with shift + left click. Place grapnels ont them by ctrl + left click. You can manipulate the molecules with the mouse. You can either specify them as arguments when launching from the terminal, or add them while running by drag-n-dropping the mol2 file.

The executable is in the release directory. Make sure the visual studio is configured with the release and x86 option. Note that for now you can only launch udock from build.

Toshiba udock