| |
| | Protein Dipole Moments Server |
 | | The quadrapole moments are now calculated according to the formula, for each atom i, Qx(i) = 0.5q(i)*(3x(i)**2 - r(i)**2), and similar for Qy and Qz, where q(i) is the atom's partial charge, x(i) is its X-coordinate and r(i) is its distance from the center-of-mass origin. |
 | | In the pictures, the dipole vector is represented by a red line, and the truncated mass moment vector is a short line, half red and half fl. |
 | | The origin of the red dipole line corresponds with the net negative charge, and the far end with the net positive charge of the dipole moment. |
| bioportal.weizmann.ac.il /dipol (928 words) |
|