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rm -rf result_06_check_intermediate
relax 06_check_intermediate.py -t 06_check_intermediate.log
</source>
=== 06_check_intermediate_grace_extra.py - Extra graphs ===
From the above run of check_intermediate, we can inspect grace images.
We could also make more graphs, if the right information
is contained in the relax data pipe.
Make a '''06_check_intermediate_grace_extra.py ''' file, with this content.
{| class="mw-collapsible mw-collapsed wikitable"
! See file content
|-
|
<source lang="python">
# Python module imports.
import os, stat
# relax module imports.
from specific_analyses.model_free.model import determine_model_type
# Read the state with the setup
var = 'result_06_check_intermediate'
results_dir = os.getcwd() + os.sep + var + os.sep + 'final'
# Load the state with setup data.
state.load(state='results.bz2', dir=results_dir, force=True)
# Define write out
write_out = results_dir + os.sep + 'grace'
# chi2 per iteration? But does not work?
grace.write(x_data_type='iter', y_data_type='chi2', file='iter_chi2.agr', dir=write_out, force=True)
</source>
|}
Run with pymol.
<source lang="bash">
relax 06_check_intermediate_grace_extra.py
</source>
