Hi there, I am trying to specify in a Perl script to automate Polymorph Prediction runs for multiple molecules. I know how to turn on "Explore torsion degrees of freedom" in the script but the torsion angles in the molecule have to be pre-defined by hand... Is there a way (i.e., using keywords) to find and assign torsion angles for a molecule automatically (kind of like how you would do within Conformers search?
Many thanks in advance!
Linjiang