ORTEP - LsplWithEnd

Interactive calculation of dihedral angles between least squares planes.

The Plane definition of the first plane starts with clicking on the Lspl button followed by clicking on the atom centres of the atoms participating. This first sequence is terminated and the sequence for the second plane started by a click on With. 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.

PLATON HOMEPAGE