Hi Edward, Just wanted to update you on the status of my runs. I had 2 potential dimer structures. I ran Chain A and B for one of them, and Chain B for the other. All the results were all very similar. There was missing data though throughout (i.e. I had data for some residues for Chain A that had no data in Chain B, Or chain A for one pdb file and Chain B for the other pdb file would have data, but Chain B for the other pdb file wouldn't). The data that is there for all 3 though does make sense. Thank you so much for your help
Sincerely, Sam On Sat, Oct 1, 2016 at 11:17 AM, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > On 1 October 2016 at 20:14, Mahdi, Sam <sam.mahdi....@my.csun.edu> wrote: > > Hi Edward, > > > > Oh ok. Thank you for your help, I was able to resolve the problems I had > > with both proteins, and now they are both running. Since there is > symmetry > > within the dimer, both chain A and chain B will give me the same S^2 > results > > correct? > > Hi Sam, > > That depends. If you superimpose A and B and have an RMSD of > 0.000000000000000000000, then the S2 values will be identical. But if > the docking software changed the monomer structures slightly so the > RMSD is not exactly zero, then the S2 values will be slightly > different for some residues. You can use relax to superimpose > structures and determine the RMSD to very high precision, if you like, > but I'll leave that to you as a learning exercise ;) > > Regards, > > Edward > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org 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
