wrote:
I am trying to calculate the DOPE energy terms for multiple models. I know very little about python and I'm not sure how to tell modeller to calculate the energy for *each* model. I've attached my script to this e-mail - it's the last 4 lines of the script that I'm having difficulties with. I'd be very grateful if someone could point me in the right direction please?
The easiest way to do this is to simply request DOPE assessment by setting the assess_methods keyword to 'assess.DOPE'. See http://salilab.org/modeller/manual/node27.html for an example (that requests GA341 assessment, but DOPE is similar).
Ben Webb, Modeller Caretaker -- http://www.salilab.org/modeller/ Modeller mailing list: http://salilab.org/mailman/listinfo/modeller_usage