On 6/25/07, Douglas Kojetin <[EMAIL PROTECTED]> wrote:
> Hi Edward,
>
> I'm trying to write a script to calculate the chisq values for each
> of the prolate rounds, but I'm having some trouble as I'm not 100%
> familiar with the relax subroutines.
Your code is almost there. I think I know where the script failed though.
> #--start
> import glob
> runs = glob.glob('prolate/round_*')
>
> # Loop over the runs.
> for name in runs:
> name=name+'/aic'
> run.create(name, 'mf')
> results.read(name)
This should all be ok.
> chi2=self.relax.data.chi2[run]
Here the 'run' variable should be replaced by 'name'.
> print "%s: %1.20f" % (name, chi2)
>
> #--end
This should also work.
> But this does not seem to work. Can someone help me with the proper
> code to extract chisq values from multiple runs?
If the script fails with the fix, would you be able to attach a print
out of the error message to help in solving where the script failed?
Cheers,
Edward
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-users mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-users
