sanjay singh wrote: ...
Then I used advanced example as a template to write my input script:
from modeller import *
from modeller.automodel import *
class mymodel(automodel):
def special_restraints(self, aln):
rsr = self.restraints
for ids in (('NZ:278:A','C4A:500:A')):
atoms = [self.atoms[i] for i in ids]
You have a missing comma in your Python script. This is a consequence of the way Python handles one-element tuples (singletons). Please refer to www.python.org[*], or your favorite Python reference, for more information. But the simple fix is to instead write:
for ids in (('NZ:278:A','C4A:500:A'),):
In fact in this case you don't need a for loop at all, since you are
only defining a single restraint.
[*] http://docs.python.org/tut/node7.html#SECTION007300000000000000000
Ben Webb, Modeller Caretaker
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