Hello,
In my protein, there is one missing loop, 15 residues.
I used the script from the tutorials to add the missing residues
while keeping other coordinates:
#
from modeller import *
from modeller.automodel import *
log.verbose()
env = environ()
env.io.atom_files_directory = ['.', '../atom_files']
class MyModel(automodel):
def select_atoms(self):
return selection(self.residue_range('133', '135'),
self.residue_range('217', '230'))
a = MyModel(env, alnfile = 'alignment.ali',
knowns = '1qg8', sequence = '1qg8_fill')
a.starting_model= 1
a.ending_model = 1
a.make()
#
However, the loops added are too extended, even have bad contacts
with the other parts of the protein.
As the figure in the Dropbox:
https://www.dropbox.com/s/3obtrrvc9c9w8df/image.png?dl=0
Could someone guide me how to add the loop more properly? Thanks a
lot!
All the best,
Qinghua