Hi Edward, Thank you for the response and the guidance! Also, I apologize if I am once again sending this message incorrectly because I am also new to SourceForge. While running test data using the Ap4Ase for the R2 demo, I noticed that there would be two molecules loaded in the spin states that had the exact same residues and spins. I deleted one of the molecules for the execution of my data because I assumed that the PDB file only contains one molecule. Is there an error I'm making in my setup that causes this to occur?
Cheers, Kapil On Fri, May 24, 2024 at 5:57 AM Edward d'Auvergne <[email protected]> wrote: > Hi Kapil, > > Welcome to the relax mailing lists! This is the correct place to ask > questions about using relax. To learn how to use relax, the test > suite data is not the best way to start. This consists of highly > truncated minimal data sets that are specifically modified to run > tests quickly. It can be quite confusing at times. The best way to > start would be to use the relax demo repository: > > > https://urldefense.proofpoint.com/v2/url?u=https-3A__sourceforge.net_p_nmr-2Drelax_relax-2Ddemo_ci_master_tree_&d=DwIFaQ&c=slrrB7dE8n7gBJbeO0g-IQ&r=7ULZ3RgKGAAE_RtB3PHsQg&m=SqDLzYqs3MLxB30JgIFjfEF_GJlgNc7whENDgkPm9CEh0f5D4GMieZUGRfQ0bVh8&s=wGhaP3u4Qu0VtpIWlsqq_pXbGjTEAU6FdXxBrDK42J0&e= > > You can either checkout the repository (if you know how to do that), > or simply click on 'download a snapshot' in the web interface. Within > the subdirectories of this demo repository, I have written README > files that contain all the information you need to perform a > steady-state NOE analysis, Rx relaxation rate curve-fitting analysis, > a full relaxation dispersion analysis, or a full model-free analysis. > This repository can be used in combination with the corresponding > analysis type chapters of the relax manual to see how to use the > scripting/prompt interface, or the graphical user interface. I hope > this helps. > > Regards, > > Edward > > > > > On Thu, 23 May 2024 at 22:18, Kapil Modi <[email protected]> wrote: > > > > Hello there! > > > > I hope this is the right way to send this email. > > > > I am new to relax-NMR and am trying to understand the general experiment > set up when running analyses. I have been trying to use some of the data in > the test-suite under the peak list tab. (xeasy_r1_20ms.text this > specifically). I am able to load the spins from the list, but when trying > to load spectral data, I go through the wizard but am met with a "spectral > data not loaded" error when trying to execute the program. Has anyone else > encountered this issue when starting, and would you be able to guide me in > what I am doing wrong? > > > > Best, > > Kapil > > _______________________________________________ > > nmr-relax-users mailing list > > [email protected] > > > https://urldefense.proofpoint.com/v2/url?u=https-3A__lists.sourceforge.net_lists_listinfo_nmr-2Drelax-2Dusers&d=DwIFaQ&c=slrrB7dE8n7gBJbeO0g-IQ&r=7ULZ3RgKGAAE_RtB3PHsQg&m=SqDLzYqs3MLxB30JgIFjfEF_GJlgNc7whENDgkPm9CEh0f5D4GMieZUGRfQ0bVh8&s=bdlo0ZMFB0zjFHZRddJHuyGNza0wtu1UgEPHrjSl45A&e= >
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