[Prashanth Athri <prashanthathri@ya...>]

Hello,

I having the following issue:

I want to edit a molecule, as in delete some atoms and replace them with some 
other. Once I do that, I want to apply torsional constraints (involving the new 
atoms) and then minimize.

The problem I face is that since these atoms are new, the torsion constraint 
dialog box [Extensions > Molecular Mechanics > Constraints; Type = Torsion 
angle] will not let me add one of these new atoms -- It does not know that they 
have been added and cannot count beyond the original atom ID's. This is true 
even if I re-open the file after saving it, or re-start Avogadro.

Since the View Menu's Torsion Properties immediately updates and displays these 
new torsions, I was wondering if there is a  quick way to make those updates to 
the torsion angle constraint drop downs as well. 

Or maybe there is another way to do this?


Thanks in advance for your response -- I appreciate it.
 --
Prashanth Athri