DihedAngle

Interactive calculation of dihedral angles between least squares planes.

A click on this menu-option brings up an ORTEP drawing with clickable atoms. The molecule can be rotated to a suitable orientation. The red menu item on the right indicates that the program is ready to receive the atom names that will determine the first least-squares plane by clicking on the corresponding atom names. This sequence is ended and the sequence for the second plane started by clicking in the With side-menu box. The second sequence is ended (and the calculation initiated) by clicking in the End field.

Alternatively, an instruction similar to LSPL c3 c4 c5 WITH c1 c2 c6 could be issued from the keyboard.

Atoms are treated with unit-weight by default. Alternatives are weighting based on atomic weights and standard deviations (esd, su). The weighting scheme may be changed using the (UAE)WLSPL button.

GEOMETRY TOOLS

PLATON HOMEPAGE