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Re: [modeller_usage] problem with model-multiple-hetero.py

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
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage