Hi, The reason for the rounding is because I was mimicking the example of the 'mfpar' file in the Modelfree manual (http://www.cumc.columbia.edu/dept/gsas/biochem/labs/palmer/software/modelfree_manual.pdf). There the numbers are given to 3 decimal places. This may make a bit of a difference in the optimisation, but I don't know if Modelfree will accept higher precision numbers. To increase this number, it will have to be thoroughly tested using Modelfree. It will involve modifying the 'create_mfpar' method in the generic_fns.palmer module (I'll be changing this one day soon from a class method to a module function). This change, if it doesn't cause problems with Modelfree, should go into the 1.3 line after approval.
Cheers, Edward On Jan 11, 2008 6:54 PM, Sebastien Morin <[EMAIL PROTECTED]> wrote: > Hi, > > I used the palmer.py script to run ModelFree from within relax 1.2 > (repository). > > The value for the 15N gyromagnetic ratio in the file > 'generic_fns/nuclei.py' is -2.7126e7. > > However, in the 'mfpar' file created by the script 'palmer.py', the > value specified is rounded up (-2.713). > > Is it something intended or should this be changed ? > > Cheers > > > Séb > > -- > Sebastien Morin > Etudiant au PhD en biochimie > Laboratoire de resonance magnetique nucleaire > Dr Stephane Gagne > CREFSIP (Universite Laval, Quebec, CANADA) > 1-418-656-2131 #4530 > > > > _______________________________________________ > relax (http://nmr-relax.com) > > This is the relax-devel 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-devel > _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel 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-devel
