Difference between revisions of "Sample scripts.relax disp.return offset data"
Jump to navigation
Jump to search
m (Tlinnet moved page Generate theta dic to Relax disp.return offset data) |
(→How to) |
||
Line 14: | Line 14: | ||
import return_offset_data | import return_offset_data | ||
− | # Execute | + | # Execute the function to generate theta dictionary |
return_offset_data.generate_theta_dic() | 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 | ||
+ | |||
</source> | </source> | ||
== See also == | == See also == | ||
[[Category:sample_scripts]] | [[Category:sample_scripts]] |
Revision as of 21:39, 6 March 2014
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