I am not really sure I am following you. Let's see and please correct me if and where I may be mistaken. To optimize de diffusion tensor model I fix the modelfree models (m0-m9) and let the diffusion tensor be optimized. I have to questions with regard to this: 1- Does this optimization tells you if it is isotropic, axially symmetric or fully anisotropic? Where? 2- Is there an exclusion of spins for tensor optimizations during this procedure, i.e., are all spins used to optimize the diffusion tensor? Or should I run this optimization using only a subset of residues that comply with the criterion of reduced mobility?
Sorry for all the trouble before you leave for holydays. Regards Tiago P -----Original Message----- From: [email protected] [mailto:[email protected]] On Behalf Of Edward d'Auvergne Sent: segunda-feira, 14 de Dezembro de 2009 17:08 To: Tiago Pais Cc: [email protected] Subject: Re: AIC to select diffusion model Hi, If optimisation is run, then yes. You could also use: relax> fix('all_spins', fixed=True) relax> fix('diff', fixed=False) to get the same effect. The model with just the diffusion tensor being optimised is also the global model. Does this answer your questions? Regards, Edward 2009/12/14 Tiago Pais <[email protected]>: > Hi, > In that case you will be optimizing everything, modelfree models and tensor, > at the same time, correct? So, the optimization will run not only on the > diffusion tensor parameters but also on the nature of the diffusion model > itself, is this it? > Regards > TP > > -----Original Message----- > From: [email protected] [mailto:[email protected]] On > Behalf Of Edward d'Auvergne > Sent: segunda-feira, 14 de Dezembro de 2009 15:46 > To: Tiago Pais > Cc: [email protected] > Subject: Re: AIC to select diffusion model > > Hi, > > I haven't found a way to make this totally obvious yet. To select > between these global models, you need to set up the global model. For > this, the diffusion tensor should not be fixed. If not fixed, then > the tensor is part of the model and all the model-free models for all > spins are linked together with the diffusion tensor into the one > global model. So for each data pipe containing the selected > model-free models, you just need to call the user function: > > relax> fix('all', fixed=False) > > I hope this helps! > > Regards, > > Edward > > > > 2009/12/14 Tiago Pais <[email protected]>: >> Hello everyone, >> >> Can anyone help me on how to use AIC to select between diffusion models >> instead of model free models (modelsel.py). Couldn't find any sample > script >> that would give me a clue on this. >> >> Best regards >> >> TiagoP >> >> >> >> ************************************** >> >> Tiago Pais, PhD. student >> >> Cell Physiology & NMR >> >> Instituto de Tecnologia Química e Biológica-Oeiras >> >> >> >> _______________________________________________ >> 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 > _______________________________________________ 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
