Patent ID: 6970791
Filing Date: 2005-11-29
Classification: C07K,G16C

Abstract:
1. A method of carrying out a molecular modeling calculation and displaying the results thereof through a task-oriented user interface, which allows for the individual user to calculate the properties of at least one selected molecule in a series of steps the results of which individual steps are visualizable by the individual user, wherein the method comprises the following steps a. an individual user accesses a molecular modeling interface that subdivides the calculation of molecular properties for a selected molecule into subtask steps which are conducted through controls and graphics that provide for conducting a specific selected subtask according to a predetermined sequence; b. the individual user selects the controls and/or graphics and carries out the subtask using said individualized subtask user interface for a selected molecule; and c. the information generated from the selected subtask for the selected molecule is thereafter transferred to a subtask positioned downstream in the sequence from the selected subtask; whereby the foregoing steps allow for an individual user to conduct a molecular modeling calculation for a selected molecule such that the calculation of molecular properties for a selected molecule is subdivided into a predetermined sequence of subtasks using graphics and controls which allow the individual user to carry out a selected subtask while allowing the controls and/or graphics associated with non-selected subtasks to remain accessible but not displayed.