mailRe: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results.


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Posted by Eldon Ulrich on March 11, 2009 - 14:01:
Hi,

I guess I am a little confused by the comments on the '.model_fit' tag and its values. My interpretation of the XML container example is; here are a list of possible models that the data could be fit to (m(0) to m(9)). For this particular set of data this model was used. The m(0) to m(9) are equal to a specific set of parameters that define the model.

For the NMR-STAR example, the value assigned to the tag '.model_fit' defines the specific set of parameters that define the model that was fit in calculating the values reported. For each row in the NMR-STAR table, a different model may have been fit.

As I understand Art's ModelFree program, the data were fit to all five models and the model that fit the best was reported. Thus, within a table of amide order parameters for a protein, one model may have been used for one residue and another model for another residue.

I am not an expert in this and am walking on thin ice here,
Eldon



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