From: David Lonie <loniedavid@gm...>  20120102 16:13:54

Hi Sandy, Sorry for the late reply! It seems the community has been busy with the holidays ;) My reply to your questions is below: On Wed, Dec 21, 2011 at 3:17 AM, Sandy <limsm55@...> wrote: > Is there a reference list to show the initial value of the > >  bond length between 2 atoms? >  angle between 3 atoms? >  torsion between 4 atoms? > > I need the above values to fill up a Zmatrix table and to create a Zmatrix > program so that I can input the information of a structure. If the bond > lengths and the angles are fixed, what parameters do I need to calculate the > torsion angles and to vary the torsion angles? > > Are there any files and source codes in Avogadro distribution related to my > questions? There was a start on a zmatrix editor a while back, but I don't believe that it was completed. For now, you can measure the bond lengths, angles, and torsion/dihedral angles with the Measure tool. There is also a roundabout way to get a full zmatrix: Extensions > Gaussian > Format: Zmatrix The zmatrix will be in the text field of the dialog window. Hope this helps, Dave 