HaptiMOL

HaptiMOL ENM is software which allows forces to be applied to atoms of an elastic network model, using a haptic feedback device.

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Three movies are shown below detailing the main aspects of the software. A compilation of all three in high resolution are contained in the following movie.

 

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Navigating Molecules: The volume of the molecule may be explored using the Navigation Cube technique. To explore areas of the molecule outside this cube, the user simply moves the probe sphere in the direction of a new area. At this point the molecule will automatically translate to enable the new area to be reached. To rotate the molcule hold down the button on the haptic stylus and move in the direction of the desired rotation. The haptic probe can be seen to illuminate the parts of the structure which are in close proximity to it using the Haptic Light approach.

 

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Applying forces to individual atoms: A video illustrating a user applying forces to individual atoms using a haptic feedback device. You can select the atoms by touching them, the atom will be highlighted. You may then click on the haptic button and drag the device to apply a force.

 

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Applying forces to multiple atoms: Forces can be applied to multiple atoms using the save forces option.