Sample scripts.relax disp.return offset data

Script

http://svn.gna.org/viewcvs/*checkout*/relax/trunk/sample_scripts/relax_disp/return_offset_data.py?content-type=text%2Fplain

How to

# Python module imports.
from os import sep
import sys

# relax module imports.
from status import Status; status = Status()

# Add to sys path
sys.path.append(status.install_path+sep+"sample_scripts"+sep+"relax_disp")

# Import the script, which have different functions in them
import return_offset_data

# Execute the function to generate theta dictionary
return_offset_data.generate_theta_dic()

The theta data now resides in
:5@N cdp.mol[0].res[0].spin[0].theta
:6@N cdp.mol[0].res[1].spin[0].theta
:8@N cdp.mol[0].res[2].spin[0].theta
:9@N cdp.mol[0].res[3].spin[0].theta
:10@N cdp.mol[0].res[4].spin[0].theta

You can then write out the values

value.write(param='theta', file='theta.out', dir="~", scaling=1.0, comment=None, bc=False, force=True)