from modeller import *
from modeller.automodel import * # Load the automodel class
log.verbose()
class MyModel(automodel):
def special_restraints(self, aln):
s1 = selection(self.chains['A']).only_atom_types('CA')
s2 = selection(self.chains['B']).only_atom_types('CA')
s3 = selection(self.chains['C']).only_atom_types('CA')
s4 = selection(self.chains['D']).only_atom_types('CA')
self.restraints.symmetry.append(symmetry(s1, s2, s3, s4))
def user_after_single_model(self):
self.restraints.symmetry.report(1.0)
env = environ()
env.io.atom_files_directory = ['.', '../atom_files']
a = MyModel(env,
alnfile = 'qseq1-tseq1.ali' , # my alignment filename
knowns = 'tseq1', # code of the tetramer template
sequence = 'qseq1') # code of the monomer made with modeller
a.starting_model= 1
a.ending_model = 1
a.make()
but after running it, the console is showing "raise KeyError <"No such chain: %s" % indx>
KeyError: 'No such chain: A'"
Please help me.
Regards,
Arijit Ghosh