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Tutorial for model free SBiNLab

1,007 bytes added, 15:41, 13 October 2017
and closely inspect the log for any errors.
For similar tutorial, have a look at : [[Tutorial_for_model-free_analysis_sam_mahdi|Tutorial for model-free analysis sam mahdi]]
=== 01 - Test load of data ===
First we just want to test to read the PDB file.
 
'''01_read_pdb.py'''
<source lang="python">
# Python module imports.
from time import asctime, localtime
import os
 
# relax module imports.
from auto_analyses.dauvergne_protocol import dAuvergne_protocol
 
# Set up the data pipe.
#######################
 
# The following sequence of user function calls can be changed as needed.
 
# Create the data pipe.
bundle_name = "mf (%s)" % asctime(localtime())
name = "origin"
pipe.create(name, 'mf', bundle=bundle_name)
# Load the PDB file.structure.read_pdb('energy_1.pdb', set_mol_name='ArcCALD', read_model=1) # Set up the 15N and 1H spins (both backbone and Trp indole sidechains).structure.load_spins('@N', ave_pos= 01 - Test load of data True)structure.load_spins('@NE1', ave_pos=True)structure.load_spins('@H', ave_pos=True)structure.load_spins('@HE1', ave_pos=True) # Assign isotopesspin.isotope('15N', spin_id='@N*')spin.isotope('1H', spin_id='@H*')</source> Run with<source lang="bash">relax 01_read_pdb.py</source>
== See also ==
[[Category:Tutorials]]
[[Category:Model-free_analysis]]
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