Thank you, it works nicely. Vitaly
On Mon, Oct 17, 2011 at 12:32, Edward d'Auvergne <[email protected]> wrote: > Hi, > > Have a look at the contents of the results files. This will tell to > the variable names of the relax data store. If you would like access > to the current data pipe, this is now accessible in a script as 'cdp'. > The structures under the 'global' XML tag in the results file are > directly accessible from the pipe structure. So if you want the chi2 > value for the current data pipe, you would access 'cdp.chi2'. > > The spin specific data is a bit more challenging. For this, I would > recommend the spin loop using the code: > > from generic_fns.mol_res_spin import spin_loop > for spin in spin_loop(): > print spin > > With the redesign of the relax 1.3 line, it should be now easier to > access the relax data store. Data is now stored in special 'data > pipes' which are data containers for isolating different analyses. > The user functions work on the current data pipe. Looking into the > script at that link, this will require a lot of work. The > model_statistics function is now buried deep in relax and not really > very accessible for a script any more, so if you need this, another > way might need to be found. Anyway, I hope this helps. > > Regards, > > Edward > > > > On 17 October 2011 18:11, V.V. <[email protected]> wrote: >> Hi Edward, >> >> I would like to look at the calculation progress, by extracting the >> chi2 values from the results in tensor/round_*/opt folder. A while ago >> a script for this was posted >> (https://mail.gna.org/public/relax-users/2007-06/msg00017.html), but >> the relax syntax changed since then. I have figured out the beginning, >> but not sure where the MF parameters are called >> (chisq=self.relax.data.chi2[name] in the older script). >> >> Thank you, >> Vitaly >> > _______________________________________________ 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
