Re: [modeller_usage] Regarding the Modelling Utility

On 9/28/12 7:08 PM, Ashish Runthala wrote: > Is there a way that i can switch on the Steepest_Descent or > Conjugated_Gradient (i.e. SD or CG) in the modelling script?

Of course. Each of the Modeller optimizers is simply a Python class; you can call them in any order you like. If you're using automodel, that's just a Python class that calls a bunch of these optimizers in an order and with parameters that we've determined in the past. With some basic Python you can modify the automodel optimization or even roll your own.

Ben Webb, Modeller Caretaker