It looks like relax will need to be modified to handle 13C relaxation in nucleic acids. I'll need to think about how to handle multiple data sets per residue. I'm sure there will be an easy way to handle it.
Once that is done, then handling N and C together will be another problem that will need to solved. Currently the atom type is assigned to the 'run'. It could be modified to be data set specific. These shouldn't be particularly difficult problems though. I'll attempt to come up with solutions for both problems. Edward On 9/29/06, Alexandar Hansen <[EMAIL PROTECTED]> wrote:
Great! In the short run that will be perfect. In the long run, what can be done to run Carbon and Nitrogen relaxation simultaneously? Or multiple carbon relaxation sites? For instance: Adenine: C8-H8 and C2-H2 Guanine: C8-H8 and N1-H1 Cytidine: C5-H5 and C6-H6 Uracil: N3-H3, C5-H5, and C6-H6 Alex Hansen On 9/28/06, Edward d'Auvergne < [EMAIL PROTECTED]> wrote: > relax is only requires residue numbers. The residue name can be > absolutely anything! Therefore as long as there is one data set per > residue then it should be fine. If there are two or more data sets > per residue, then relax will have problems. That should be fixable if > required though. > > Edward > > > On 9/29/06, Alexandar Hansen <[EMAIL PROTECTED]> wrote: > > Hello, > > > > I was curious how to go about making an input file for nitrogen relaxation > > of nucleic acids. Is it a simple procedure of making the input file like > > this: > > > > <R1.600.out> > > > > Num Name Value Error > > 1 G 2.15 0.22 > > 2 U 1.39 0.15 > > etc. > > > > > > Alex Hansen > > > > > > > > _______________________________________________ > > 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 > > > > > > > -- 4635 Hunt Club Dr Apt 1C Ypsilanti, MI - 48197 Cell: (734) 819-0928 Work: (734) 615-7421 ================================= "Place your attention entirely on my voice. Try to ignore all the others. It is important to be able to focus on a single source of information, while blocking out all the other things that are competing for your attention." ------------------------------------------------------------------ Left Voice in 'Your Attention Please' by Blue Man Group =================================
_______________________________________________ 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
