When I use:
self.patch(residue_type='DISU', residues=(self.residues['199'],
self.residues['205']))
it works.
When I use:
self.patch(residue_type='DISU', residues=(self.residues['199:G'],
self.residues['205:G']))
it gives me error information:
KeyError: 'No such residue: 199:G'
What might be wrong?
Thanks!
------
Atila Iamarino wrote:
> I'm interested in modeling a protein forcing
disulfide bridges but my
> protein has two chains. How do I set the
residue in the .py file?
>
> # Redefine the special_patches routine
to include the additional disulfides
> # (this routine is empty by
default):
> class mymodel(automodel):
> def
special_patches(self, aln):
> # A disulfide between residues 8 and
45:
> self.patch(residue_type='DISU',
residues=(self.residues['8'],
>
self.residues['45']))
That's straightforward - just include a chain ID
(see
http://salilab.org/modeller/9v1/manual/node153.html).
For example,
self.patch(residue_type='DISU',
residues=(self.residues['8:A'],
self.residues['45:A']))
Ben Webb, Modeller Caretaker