a black box is needed -- September 16, 2009 - 18:38

Hi,

I just installed relax and tried to figure out how it works (couldn't).
I have no idea about python and I don't mind to keep it that way unless i have no other choice.
Still, I tried to play with the examples and  couldn't make it work (the relax --text-suite didn't give me error)


I tried to run model-free.py from the relax prompt but it gives me error.
" Traceback (most recent call last):
  File "<console>", line 1, in <module>
NameError: name 'model' is not defined "

Then I copied line by line and it did work.
It save it in a .bz2 format. 
Now If I want to read the data what format should I use?
It looks like a source html file.


In general I collected data on two fields and want to analyze the data with a black box (the full_analysis.py ?) 
I have the input files in the right format as in the examples
I have the pdb file

Is it possible to simply run a black-box that will give me an output:
List of the residues with the best model for each, the values for this model (S2, tau ...), the goodness of the fitting, and
the overall diffusion tensor?
This black box will also reject "bad" relaxation data.
and all of that will be given in a text file?

It is too much to ask?

Thank you,

Boaz


------------------------------------------------
Boaz Shapira PhD
Complex  Carbohydrate Research Center
University of Georgia
315 Riverbend Rd
Athens, GA 30602-4712
706-542-6286
bshapira@xxxxxxxxxxxx