The structure can narrow down the number possible point groups - for example, a tetrahedral molecule can never be D4h, because the "4" implies a 4-fold rotational axis and the "h" implies a reflection plane perpendicular to the principle axis, neither of which is possible for a tetrahedral shape. However, the shape alone is not enough to determine the possible point group. Chloroform and methane are both essentially tetrahedral-like, but they have different point groups.
It sounds from your questions like you need to do some reading about point groups and molecular symmetry. Any introductory inorganic or physical chemistry textbook should be a good place to start.