relax> pipe.create(pipe_name='mf', pipe_type='mf', bundle=None)
relax> residue.create(res_num=62, res_name=None, mol_name=None)
relax>
spin.name(name='NE1', spin_id=None, force=False)
relax> residue.create(res_num=10, res_name=None, mol_name=None)
relax> residue.create(res_num=6, res_name=None, mol_name=None)
relax>
spin.name(name='N', spin_id=None, force=False)
RelaxWarning: The spin ':62@NE1' is already named. Set the force flag to rename
.
I do:
# Create the sequence data, and name the spins.
self.interpreter.residue.create(62)
self.interpreter.residue.create(10)
self.interpreter.residue.create(6)
And the file is:
1 246.658 18.268 9.932 128.374 +1.851056e+06 W62NE1-W62HE1 1.0000
2 321.698 30.994 9.419 127.066 +3.224387e+05 L10N-L10HN 1.0000
3 320.089 55.737 9.430 124.523 +1.479366e+06 V6N-V6HN 1.0000