On 6/12/18 9:21 AM, KEDAR SHARMA wrote: > i have generated 50 models of my protein using advanced modeling, now i > want to evaluate all the models using one script which will give DOPE > score, GA341 and molpdf score.
DOPE and GA341 are simple to calculate: https://salilab.org/modeller/9.20/manual/node258.html https://salilab.org/modeller/9.20/manual/node202.html
It's trivial to write a 'for' loop in Python to loop over your 50 models and assess each one in turn.
molpdf doesn't need to be calculated since it's already in the PDB file headers. See also https://salilab.org/modeller/9.20/manual/node167.html
Ben Webb, Modeller Caretaker