Hi, I want to ask a base question, please let me know the main deference between these two python scripts. I suppose the deference is *this*: the first one do the comparative modeling with the base of template for all residues, but the second one, do the same except for residues 197 - 198. But I see a main deference between the results (output structures)
are the applied methods of these two script are the same or not? Cheers Ramin
#1 env = environ() a = automodel(env, alnfile='Drd2-3SN6.ali', knowns='3SN6', sequence='Drd2', assess_methods=(assess.DOPE, assess.GA341)) a.starting_model = 1000 a.ending_model = 1000 a.make()
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#2 class MyModel(automodel): def select_atoms(self): return selection(self) - selection(self.residue_range('197', '198')) env = environ() a = MyModel(env, alnfile = 'Drd2-3SN6.ali', knowns = '3SN6', sequence = 'Drd2', assess_methods=(assess.DOPE, assess.GA341)) a.starting_model= 1005 a.ending_model = 1005 a.make()
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On 7/1/13 5:00 AM, Ramin Ekhteiari wrote: > please let me know the main deference between these two python scripts. > I suppose the deference is *this*: > the first one do the comparative modeling with the base of template for > all residues, > but the second one, do the same except for residues 197 - 198.
Yes, that's right.
> But I see a main deference between the results (output structures) > are the applied methods of these two script are the same or not?
Of course the output structures will be different, because you're optimizing a different set of residues. But the method used is the same in both cases.
Ben Webb, Modeller Caretaker
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Modeller Caretaker -
Ramin Ekhteiari