Re: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results.Re: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results.Hi,Forgot to include the 'Model_fit' enumerations. I would prefer to go with the strings as shown. Other formats like '000110' can be software version specific and more difficult to track properly over long periods of time in the BMRB archive.
Eldon
save__Order_param.Model_fit
loop_
_item_enumeration_value
_item_enumeration_description
'{ }' .
'{S2}' .
'{S2, te}' .
'{S2, Rex}' .
'{S2, te, Rex}' .
'{S2f, S2, ts} .
'{S2f, tf, S2, ts}' .
'{S2f, S2, ts, Rex}' .
'{S2f, tf, S2, ts, Rex}' .
'{Rex}' .
# The preset model-free models with optimisation of the CSA value are
'{CSA}' .
'{CSA, S2}' .
'{CSA, S2, te}' .
'{CSA, S2, Rex}' .
'{CSA, S2, te, Rex}' .
'{CSA, S2f, S2, ts}' .
'{CSA, S2f, tf, S2, ts}' .
'{CSA, S2f, S2, ts, Rex}' .
'{CSA, S2f, tf, S2, ts, Rex}' .
'{CSA, Rex}' .
# The preset model-free models with optimisation of the bond length are
'{r}' .
'{r, S2}' .
'{r, S2, te}' .
'{r, S2, Rex}' .
'{r, S2, te, Rex}' .
'{r, S2f, S2, ts}' .
'{r, S2f, tf, S2, ts}' .
'{r, S2f, S2, ts, Rex}' .
'{r, S2f, tf, S2, ts, Rex}' .
'{r, CSA, Rex}' .
# The preset model-free models with both optimisation of the bond
length and CSA are
'{r, CSA}' .
'{r, CSA, S2}' .
'{r, CSA, S2, te}' .
'{r, CSA, S2, Rex}' .
'{r, CSA, S2, te, Rex}' .
'{r, CSA, S2f, S2, ts}' .
'{r, CSA, S2f, tf, S2, ts}' .
'{r, CSA, S2f, S2, ts, Rex}' .
'{r, CSA, S2f, tf, S2, ts, Rex}' .
'{r, CSA, Rex}' .
# Warning: The models in the thirties range fail when using
# standard R1, R2, and NOE relaxation data. This is due to the
extreme flexibly of these
# models where a change in the parameter 'r' is compensated by a
corresponding change in the
# parameter 'CSA' and vice versa.
# Additional preset model-free models, which are simply extensions
# of the above models with the addition of a local tm parameter are:
'{tm}' .
'{tm, S2}' .
'{tm, S2, te}' .
'{tm, S2, Rex}' .
'{tm, S2, te, Rex}' .
'{tm, S2f, S2, ts}' .
'{tm, S2f, tf, S2, ts}' .
'{tm, S2f, S2, ts, Rex}' .
'{tm, S2f, tf, S2, ts, Rex}' .
'{tm, Rex}' .
# The preset model-free models with optimisation of the CSA value are
'{tm, CSA}' .
'{tm, CSA, S2}' .
'{tm, CSA, S2, te}' .
'{tm, CSA, S2, Rex}' .
'{tm, CSA, S2, te, Rex}' .
'{tm, CSA, S2f, S2, ts}' .
'{tm, CSA, S2f, tf, S2, ts}' .
'{tm, CSA, S2f, S2, ts, Rex}' .
'{tm, CSA, S2f, tf, S2, ts, Rex}' .
'{tm, CSA, Rex}' .
# The preset model-free models with optimisation of the bond length are
'{tm, r}' .
'{tm, r, S2}' .
'{tm, r, S2, te}' .
'{tm, r, S2, Rex}' .
'{tm, r, S2, te, Rex}' .
'{tm, r, S2f, S2, ts}' .
'{tm, r, S2f, tf, S2, ts}' .
'{tm, r, S2f, S2, ts, Rex}' .
'{tm, r, S2f, tf, S2, ts, Rex}' .
'{tm, r, CSA, Rex}' .
# The preset model-free models with both optimisation of the bond
length and CSA are
'{tm, r, CSA}' .
'{tm, r, CSA, S2}' .
'{tm, r, CSA, S2, te}' .
'{tm, r, CSA, S2, Rex}' .
'{tm, r, CSA, S2, te, Rex}' .
'{tm, r, CSA, S2f, S2, ts}' .
'{tm, r, CSA, S2f, tf, S2, ts}' .
'{tm, r, CSA, S2f, S2, ts, Rex}' .
'{tm, r, CSA, S2f, tf, S2, ts, Rex}' .
'{tm, r, CSA, Rex}' .
# Modelfree4 models
'S2s' .
'S2s and te' .
'S2s and Rex' .
'S2s, te and Rex' .
'Sf2, Ss2, and te' .
stop_
save_