Hi all,
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?
Many thanks,
Yalini
yalini.pathy@yale.edu 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
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Modeller Caretaker -
yalini.pathy＠yale.edu