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Hello Xiaohu-- > > fit selection: name CA > > comparision selection: not name H* and not resname ANI > > Can anyone suggest How do I interpret the numbers in the last two columns in > the above output? My personal understanding is that the "fit' column > bascially calculates the RMSD of each structure with respect to the average > using CA ONLY and the "comparison" column does RMSD of each structure with > respect to the average using all heavy atoms (in my protein sample, 15N, > 13C, O, S). > Is this correct? exactly. > One more little detail, what's ANI? > The residue name ANI is used for the tensor atoms used by the RDC potential term. You usually don't care about the positions of these atoms. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGZxg/PK2zrJwS/lYRAn1xAJ4qym6s85FUD3wCx77nzi2vW6vN4gCePN7f YAx3DlUFVbw7CXHUADAegwA= =sSJ2 -----END PGP SIGNATURE-----
