Hi Zhihong, The N-state model using PCS and RDC data will soon be published in a paper about lactose dynamics. The manuscript has been accepted. The SI material contains the scripts used in the analysis, and the main text a full description of what can be done and how this is a multi-minimum problem that needs to be handled very carefully. Once published online, hopefully in a few weeks, I will add the 2 scripts used to relax. Note, you will have to be very certain of your experimental uncertainties. You need to determine the experimental errors very accurately - these appear to be more important than the data itself in obtaining your final results (well, getting them wrong is fatal). If you need these earlier, I can talk to the other authors and see what we can do.
If you mean the absolute stereochemistry analysis (http://dx.doi.org/10.1002/chem.201002520), have a look at the stereochem_analysis.py sample script distributed with relax 1.3.10. Regards, Edward On 25 April 2011 10:21, Zhihong Liu <[email protected]> wrote: > Hi, Edward > I'm trying to find a proper script in your newest relax release(1.3.10) > to calculate the N-states model dynamics. The PCS and RDC data come from > the paramagnetic lanthanide ion center. I checked the "sample_scripts" fold > and found the only possible one is the "N_state_model.py", which is too > short to run any calculation. Can you give me a example to do this kind of > calculation? Thanks! > best > zhihong > > _______________________________________________ > 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 > > _______________________________________________ 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
