Dear All,
I have tried to generates models for single point mutation along with
own optimization and refinement criteria on the selected region of atoms
around the mutated residue which works fine but the problem is in DOPE
score.
I thing modeler generate DOPE score only for selected region of optimized
atoms but I want to write the DOPE score for optimized region of atoms
along with whole structure. Is it possible to do the same?
Thanking you in advance
1. Create selection (e.g., the entire protein model).
2. Calculate DOPE.
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http://salilab.org/modeller/9v7/manual/node242.html
Many More thanks for your reply and you are correct but i have tried the following ways:
In MyModel class I wrote the following:
def my_all_model_dope(atmsel):
# get model
m = atmsel.get_model()
# select all atoms in model
s = selection(m)
# return all-model score
return ('my score', s.assess_dope())
Then I instantiated with MyModel class
a = MyModel(..., assess_methods=(assess.DOPE, my_all_model_dope))
Also , we can do with the following ways
1.https://salilab.org/modeller/9.17/manual/node74.html
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