Hi, We are currently studying a system for which many structures are available.
We thought it would be a great idea to compare X-H (N-H in our case) orientations to spot residues for which the orientation varies in the different structures, i.e. for which there might be important motions. We thought this could be useful to eliminate such residues with tremendous motions from diffusion tensor optimization and test them as diffusing independently (local tm). Is there a way to do that in relax ? We saw the sample script 'xh_vector_dist.py' which allows one to plot the vector orientations distribution. However, what we would like to get would be a file containing the orientations which could allow us to compare different structures quantitatively on a per residue basis... Thanks for help ! Sébastien Morin _______________________________________________ relax (http://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