Hi Ryan, Welcome to the relax mailing lists! I hope that the links Troels posted were of help. I am now back from holidays, hence the late reply. The problem you have, of not having a PDB file or 3D structure has been encountered before. For example searching the relax users mailing list (http://dir.gmane.org/gmane.science.nmr.relax.user), you may find: http://thread.gmane.org/gmane.science.nmr.relax.user/472/focus=476 This was a long time ago, but from memory I made it possible to perform a model-free analysis without having 3D structural information. However, you should be very, very careful about artificial motions in the spherical diffusion model. See the following for a review of these fatal issues: d'Auvergne E. J., Gooley P. R. (2007). Set theory formulation of the model-free problem and the diffusion seeded model-free paradigm. Mol. Biosyst., 3(7), 483-494. (http://dx.doi.org/10.1039/b702202f) In summary - if you don't see the motion of the spherical model in the local tm model, then it probably isn't real! For the dipole-diploe interaction, you will need to set this up differently. As I am guessing that you are using the GUI interface, just follow the instructions at http://www.nmr-relax.com/manual/d_Auvergne_protocol_GUI_mode_relaxation_interactions.html. You can skip or cancel the unit vector calculation part of the dipole-dipole interaction wizard as this will just give a RelaxError. But you will then have the dipole-dipole interaction set up. Note that this is performed in the script UI mode in the sample script described at http://www.nmr-relax.com/manual/Single_model_free_model_script_mode_sample_script.html. I hope this helps. Regards, Edward On 31 July 2014 21:47, Ryan Lo <rhl4vf@xxxxxxxxxxxx> wrote:
Hello, I'm also a new user of Relax. I have a perhaps silly question. I'm studying a protein without a structure, and have processed my R1 R2 relaxation data at 600 and 800 MHz using Relax. When I move to the Model-free analysis portion, I've followed the manual, and have tried changing the Protocol mode, as suggested: "However if you are studying a system without a 3D structure,you can execute each individual component of the analysis byclicking on the “Change” button." However, Relax throws an error, saying Missing data. The set up is incomplete. Please check for the following missing information: Interatomic data (for the dipole-dipole interaction) Considering I don't have a PDB to read for the dipolar relaxation input, is there a way I can continue? Thank you all very much for your time. I look forward to hearing your response. From, Ryan _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@xxxxxxx 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