A POSITION SENSOR FOR COMPUTER MODELING

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For the study of macromolecular structure and of molecular interactions, the use of a computer generated display of the molecule is a powerful interpretive tool. In particular, the ability to be able to manipulate in space, i.e. to rotate and translate the molecule(s) to any desired orientation enhances the usefulness of the device. A further degree of sophistication is to provide a feedback mechanism giving an indication of the repulsive or attractive forces (Van der Waals interactions) present as two molecules are fitted together or as a single molecule is twisted to a new conformation. A joy stick apparatus has been designed to provide these features. Two molecules or part of the same molecule can then be rotated and translated in any direction. With each new position, the computer program re-evaluates the appropriate forces to provide the investigator with a feel of the total forces involved.