mail[bug #12670] Bug in Monte Carlo simulations (relaxation curve-fitting error analysis issues).


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Posted by Edward d Auvergne on December 03, 2008 - 13:59:

Follow-up Comment #1, bug #12670 (project relax):

I've tried replicating the bug, but unfortunately I need the UBQ sequence
data.  Instead of attaching the PDB file, could you attach the 1UBQ.seq file
generated by the following user functions.  Cheers.

pipe.create('rx', 'relax_fit')
structure.read_pdb('1UBQ.pdb')
structure.load_spins(spin_id='@N')
sequence.write('1UBQ.seq', mol_name_flag=True, res_num_flag=True,
res_name_flag=True, spin_num_flag=True, spin_name_flag=True, force=True)

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