Drawing in 3D

Drawing 3d molecule on a 2d screen has some difficulties. For example, a point on the screen will correspond to a line or ray in 3d space:

So, some preliminary assumptions have to be made.

1) In the case of drawing from scratch the first atom is placed at the center of the coordinate system.

2) If a main window already contains atom(s) the procedure for adding a new atom/molecule should be following:

  1. User should select atom in the main window
  2. In the case of adding a molecule user should select one atom of a molecule in the secondary window
  3. By shift-left mouse clicking on the spot in the main window an atom (or selected atom from the secondary window) will be placed on the spot of the screen with its 3D Z-coordinate being the same as that of selected atom in the main window:

Send all questions, suggestions and comments to Vlad (vvv900@gmail.com)

Dr. Vladislav Vasilyev

National Computational Infrastructure (NCI)

The Australian National University,

Canberra, ACT, 0200, Australia