Menu

Commit [r25537]  Maximize  Restore  History

Change to the parameter nesting in the frame order auto-analysis.

The pivot is now taken from the rotor model for all other models. Taking the pivot point from the
isotropic cone model is not a good idea as there are situations where the pivot point optimisation
catastrophically fails, sending the point many tens or hundreds of Angstrom away from the molecule.

bugman 2014-09-02

changed /branches/frame_order_cleanup/auto_analyses/frame_order.py
/branches/frame_order_cleanup/auto_analyses/frame_order.py Diff Switch to side-by-side view
Loading...